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Quantum hydrodynamics for plasmas–quo vadis?

M. Bonitz1, Zh. A. Moldabekov1,2,3, and T. S. Ramazanov2 1Institut f¨ur Theoretische Physik und Astrophysik, Christian-Albrechts-Universit¨at zu Kiel, Leibnizstraße 15, 24098 Kiel, Germany 2Institute for Experimental and Theoretical Physics, Al-Farabi Kazakh National University, 71 Al-Farabi str., 050040 Almaty, Kazakhstan and 3Institute of Applied Sciences and IT, 40-48 Shashkin Str., 050038 Almaty, Kazakhstan

Quantum plasmas are an important topic in astrophysics and high pressure laboratory physics for more than 50 years. In addition, many condensed matter systems, including the electron gas in metals, metallic nanoparticles, or electron-hole systems in semiconductors and heterostructures exhibit – to some extent – plasma-like behavior. Among the key theoretical approaches that have been applied to these systems are quantum kinetic theory, Green functions theory, quantum Monte Carlo, semiclassical and quantum molecular dynamics and, more recently, density functional theory simulations. These activities are in close contact with the experiments and have firmly established themselves in the fields of plasma physics, astrophysics and . About two decades ago, a second branch of quantum plasma theory emerged that is based on a quantum fluid description and has attracted a substantial number of researchers. The focus of these works has been on collective oscillations and linear and nonlinear waves in quantum plasmas. Even though these papers pretend to address the same physical systems as the more traditional papers mentioned above the former appear to form a rather closed community that is largely isolated from the rest of the field. The quantum hydrodynamics (QHD) results have – with a few exceptions – not found application in astrophysics or in experiments in condensed matter physics. Moreover, these results did practically not have any impact on the former quantum plasma theory community. One reason is the unknown accuracy of the QHD for dense plasmas. In this paper, we present a novel derivation, starting from reduced density operators that clearly points to the deficiencies of QHD, and we outline possible improvements. It has also to be noted that some of the QHD results have attracted negative attention being criticized as unphysical. Examples include the prediction of “novel attractive forces” between pro- tons in an equilibrium quantum plasma, the notion of “spinning quantum plasmas” or the new field of “quantum dusty plasmas”. In the present article we discuss the latter system in some detail because it is a particularly disturbing case of formal theoretical investigations that are detached from physical reality despite bold and unproven claims of importance for e.g. dense astrophysical plasmas or microelectronics. We stress that these deficiencies are not a problem of QHD itself which is a powerful and efficient method, but rather due to ignorance of its properties and limitations. We analyze the common flaws of these works and come up with suggestions how to improve the situation of QHD applications to quantum plasmas.

PACS numbers: 52.27.Lw, 52.20.-j, 52.40.Hf

I. INTRODUCTION fusion [17–19] where electronic quantum effects are im- portant during the initial phase. Another exotic example Quantum plasmas – charged particle systems in which is the quark-gluon plasma that is now routinely produced at least the one component (typically the electrons) ex- at the relativistic heavy ion collider in Brookhaven and hibit quantum degeneracy – are ubiquitous in nature, the Large Hadron Collider at CERN and exhibits inter- esting similarities with Coulomb plasmas, e.g. [27, 28].

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 e.g. [1–4]. Examples are the matter in the interior of our Earth [5], of giant planets, e.g. [6–11] and brown and Aside from dense plasmas, also many condensed mat- white dwarf stars [12–14], and the outer crust of neu- ter systems exhibit – to some extent – quantum plasma tron stars [15, 16]. In the laboratory, quantum plasmas properties. This concerns, for example, the electron gas are being routinely produced via compression of matter in metals, e.g. [4, 29, 30] and electron-hole systems in with the help of lasers, ion beams or X-rays. Exam- semiconductors, e.g. [31, 32]. Among recent applications ples include the Lawrence Livermore National Labora- we mention nanoplasmonics which studies the interac- tory [17, 18], the Z-machine at Sandia National Labora- tion of quantum electrons in metallic nanostructures with tory [19, 20], the upcoming FAIR facility at GSI Darm- electromagnetic radiation [33, 34]. stadt, Germany [21], the Omega laser at the University of The behavior of all these very diverse systems is char- Rochester [22], the Linac Coherent Light Source (LCLS) acterized, among others, by electronic quantum effects, in Stanford [23, 24], the European free electron laser facil- so their accurate description is of high importance and ities FLASH and X-FEL in Hamburg, Germany [25, 26], constitutes an actively developing field. Quantum effects and other laser and free electron laser laboratories. A of ions are relevant only at very high densities, in partic- particularly exciting application is inertial confinement ular, for the phase diagram of light elements, such as hy- This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 2

drogen, e.g. [35], for ion crystals in white dwarfs, crystals netic theory or first-principle simulations. of heavy holes in semiconductors [36, 37], or for the ex- Thus it is natural to look for a fluid description also otic matter in the interior of neutron stars [15]. Quantum in the case of quantum plasmas. However, until now effects of electrons are of relevance at low temperature no rigorous derivation of fluid equations via moments and/or if matter is very highly compressed, such that the of quantum kinetic equations exists that would paral- temperature is lower than the Fermi temperature (for the lel the quality of classical fluid equations, e.g. [68]. In- relevant parameter range, see Fig. 1 and, for the param- stead, already long ago various semi-phenomenological eter definitions, see Sec. II). Quantum effects that have approaches have been proposed, such as Landaus’s Fermi to be taken into account include the spatial delocaliza- liquid theory [29, 30], Thomas-Fermi theory [69] or tion (diffraction effects), exchange effects (antisymmetry the Gross-Pitaevskii equation for bosons [70, 71]. In of the wave function and Pauli blocking), electronic spin nanoplasmonics recently fluid models are being used that effects, bound states and their many-particle renormal- are derived from Thomas-Fermi-von-Weizs¨acker models, ization (continuum lowering) etc. [38, 39]. At the same e.g. [33, 72, 73]. Finally, Madelung, Bohm and others time, quantum plasmas are characterized by correlations showed that the single-particle Schr¨odinger equation can and finite temperature effects. Thus the theoretical de- be rewritten identically as a fluid-type equation for the scription of quantum plasmas is challenging because stan- probability density, see Ref. [74], for an overview. dard approaches such as perturbation theory or ground This latter equation was used more recently by Man- state methods do not apply. fredi and Haas to motivate a fluid description of a quan- The development of a theory of quantum plasmas tum many-fermion system [75, 76]. The resulting quan- goes back to the 1950s and was based on quantum gen- tum hydrodynamic (QHD) equations have the same form eralizations of kinetic equations derived by Bohm and as the single-particle equation except for an additional Pines [40, 41] and Klimontovich and Silin [42–44], and mean field (Hartree) potential and a Fermi pressure term others, see also Ref. [45]. In the mean time, improved created by all particles. Thus, they neglect quantum ex- generalized quantum kinetic equations have been derived change (in particular the Pauli principle), dissipation, starting from reduced density operators, e.g. [39, 46], or correlations and finite temperature effects. (We note nonequilibrium Green functions (NEGF) [47–49]. Mean- that exchange-correlation corrections were introduced in while many text books on quantum statistics and quan- Ref. [77] but the accuracy of this phenomoenological ap- tum kinetic equations are available that include applica- proach is unclear.) Moreover, the derivation of Ref. [75] tions to quantum plasmas, e.g. [38, 39, 50, 51] and refer- employed several strong assumptions giving rise to a ences therein. Another direction in quantum plasma the- limited applicability range, e.g. [78–80]. For example, ory is first principle computer simulations such as quan- the QHD equations of Ref. [75] reproduce the collec- tum Monte Carlo [4, 52–57], semiclassical molecular dy- tive linear response of a quantum plasma quantitatively namics with quantum potentials (SC-MD), e.g. [58] and correctly only in the high-frequency limit, e.g. [81, 82] various variants of quantum MD, e.g. [59–61]. More re- of one-dimensional system. Other applications require cently, also density functional theory (DFT) simulations phenomenological adjustments of the coefficients of the were introduced to the field of quantum plasmas and have Bohm potential and the Fermi pressure [81, 83]), for de- quickly gained importance due to their ability to treat tails see Sec. III. realistic warm dense matter, e.g. [62–64]. Furthermore, This complicated behavior of the QHD equations is also orbital-free DFT methods (OF-DFT) are being de- not surprising, given the complexity of the underlying veloped. Finally, also time-dependent methods such as many-particle quantum system. On the other hand, this TD-DFT, e.g. [65] and NEGF are being successfully ap- means that, when applying QHD models to real quan- plied, e.g. [66, 67]. tum plasmas, careful applicability tests and comparisons Certainly, all these approaches are rather complicated to more accurate approaches, such as quantum kinetic reflecting the high complexity of realistic quantum plas- theory, DFT or quantum Monte Carlo, are indispensi- PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 mas, and they often require time consuming computer ble. However, many papers that applied QHD models to simulations. Therefore, simplified models that would al- quantum plasmas neither include a careful validity anal- low for an approximate description in limiting cases are ysis nor comparisons to experiments or more accurate highly desirable. The situation is similar to classical theories. So it does not come as a surprise that numer- plasma physics where an accurate description is based ous predictions have been made that are either highly on kinetic theory (e.g. Boltzmann equation of particle speculative or even in conflict with results that are well in cell simulations) or particle simulations (e.g. molecu- established in other fields. For this reason these results lar dynamics). Here a simplified description is achieved have not been picked up by researchers outside the QHD- by transition to a fluid approach that is rigorously de- quantum plasma community except for occasional critical rived from nonequilibrium statistical mechanics and ki- comments, e.g. Refs. [78, 84, 85]. For example, Vranies netic theory. The limitations of fluid models are well et al. concluded (we quote from the abstract of Ref. [84]): known (they are related e.g. to coarse graining effects, “The quantum plasma theory has flourished in the past neglect of kinetic and collision effects), and the model few years without much regard to the physical validity results can be carefully verified against experiments, ki- of the formulation or its connection to any real physical This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 3

system. It is argued here that there is a very limited this style of research is a flood of papers of question- physical ground for the application of such a theory.” able validity and importance containing a large number A prominent example of untested claims was the pre- of astonishing predictions, examples of which were listed diction of “novel attractive forces” between protons in above. This is not restricted to “quantum dusty plas- an equilibrium quantum plasma by Shukla and Eliasson mas”, but they are a particularly disturbing case and (known as SE potential) [86]. These predictions were will, therefore, be discussed in some detail. Let us stress proven wrong by ab initio density functional theory simu- that these problematic predictions have nothing to do lations in Ref. [78] where also the limitations of linearized with the QHD approach which we believe to be power- QHD were pointed out, see also Refs. [79, 87]. The failure ful, if applied within its range of validity. of the SE potential is also confirmed by quantum kinetic This paper is organized as follows: in Sec. II we recall theory [88]. More details on QHD and its validity range the main parameters of quantum plasmas and the rele- are discussed in Sec. III. vant temperature and density range. Section III presents A second prominent example of unjustified claims was a systematic re-derivation of the QHD equations, start- the prediction of unphysically high spin polarization in ing from density operator theory. There we derive micro- quantum plasmas [89], the notion of “spinning quantum scopic QHD equations that allow for a clear analysis of plasmas” [89] and the invention of “spin lasers” [90] that the approximations made in QHD and of its applicability were criticized in Refs. [85, 91] where also further ref- limits. We also present a comparison to other approaches erences are given. Interestingly, some of these papers such as Bohmian and TD-DFT. In received high citation numbers in the QHD-quantum Sec. IV we critically discuss the transfer of results from plasma community. However, although spin effects are one plasma to another pointing out the limitations of being actively studied in condensed matter physics for such an approach. After this, in Sec. V we discuss in decades in the context of spintronics, e.g. [92, 93] and some detail the concept of “quantum dusty plasmas” in- references therein, the above papers received no feedback cluding often used examples and parameters and examine in that community. the stability conditions of a dust particle in a quantum In 2005 application of quantum hydrodynamics lead plasma. We conclude in Secs. VI and VII with an out- to another discovery [94]: “quantum dusty plasmas” look for quantum plasma theory where we summarize (QDP). This can be considered one of the most spectacu- the main challenges the field is facing, in general, and lar predictions of QHD for quantum plasmas. According the scientific contributions, QHD is capable to make, in to this article, cooling of a dusty plasma will give rise not particular. only to quantum electrons and ions but also to quantum dust particles (details are discussed in the supplementary material [95]). The paper [94] has had a high impact in II. QUANTUM PLASMA PARAMETERS the QHD-quantum plasma community and was followed by many investigations of novel oscillations and waves in “quantum dusty plasmas”. As done in Ref. [94], the fol- Let us recall the basic parameters of quantum plasmas low up papers typically claimed that their QDP results [39]: are of importance for many diverse systems that include 1. the electron degeneracy parameters white dwarf stars, neutron stars, supernovae, semicon- 3 ductor plasmas, metallic structures and more. Unfor- θe = kBTe/EF e and χe = neΛe, where √ tunately, for none of those strong claims any proof or, Λe = h/ 2πmekBTe, is the thermal DeBroglie at least, convincing arguments have been given. This is wave length, and the Fermi energy of electrons is not surprising because a fairly simple analysis and consis- ~2 tency check of parameters is sufficient to understand that 2 2/3 EF e = (3π ne) , (1) “quantum dusty plasmas” cannot exist in any of the men- 2me PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 tioned physical systems. Moreover, they are non-existing in any other system. It is one of the goals of this article where ne is the electron density and Te the electron to present this elementary analysis. temperature (note that Eq. (1) applies only to a One may wonder how the claims about relevance of 3D Fermi gas of spin 1/2 particles, more cases are the results for compact stars, on the one hand, and for discussed in the appendix), solid state systems, on the other, are being justified in the 3 QHD-quantum plasma papers. This is a crucial question 2. the ion degeneracy parameter χi = niΛi , where for this field in general that goes far beyond the particular Λi = h/√2πmikBTi. Obviously the ion degeneracy 3/2 case of “quantum dusty plasmas”. The answer is simple: parameter is a factor (meTe/miTi) smaller than there is no careful justification, neither of the validity of the one of the electrons; the model nor of the relevance for specific types of quan- tum plasmas. The typical “justification” is references to 3. the classical coupling parameter of ions Γi = 2 earlier QHD-quantum plasma papers where the chosen Qi /(aikBTi), where Qi is the ion charge, and ai parameters were introduced before. The consequence of is the mean inter-ionic distance. This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 4

shown in Fig. 1 refer to the free electron (ion) density. In cases when the plasma is only partially ionized the free electron density has to be replaced by n αion n . e → × e The degree of ionization decreases when the tempera- ture is lowered, according to the Saha equation, αion −|Eb|/kB T ∼ e , where Eb denotes the binding energy of the atom, and in Fig. 1 we indicate the line where a clas- sical hydrogen plasma has a degree of ionization of 0.5. The extension to a dense quantum plasma, i.e. to the right of the line χe = 1, where ionization occurs due to compression will be discussed below, in Fig. 2.

III. QUANTUM HYDRODYNAMICS

Quantum hydrodynamics has been reviewed in many text books and articles, e.g. [74, 80, 83, 97, 98], therefore, FIG. 1. Density-temperature plain with examples of plasmas we here concentrate on aspects that are of relevance for and characteristic plasma parameters. ICF and WDM de- quantum plasma applications. note inertial confinement fusion and warm dense matter, re- spectively. Metals (semiconductors) refers to the electron gas in metals (electron-hole plasma in semiconductors). Strong ionic coupling is found below the line Γi = 1. Electronic A. N-particle Schr¨odinger equation. (ionic) quantum effects are observed to the right of the line Amplitude-Phase representation χe =1(χp = 1). The coupling strength of quantum electrons increases with rs (with decreasing density). Atomic ioniza- We consider a non-relativistic many-particle quantum tion due to thermal effects is dominant above the red line (for system described by the spin-independent hamiltonian equilibrium hydrogen plasmas [96]). Ionization in the case of quantum electrons (pressure ionization) is considered in N ~2 Fig. 2. Note that the values of χp and rs refer to the case of 1 Hˆ = 2 + V (r ) + w (R), (3) hydrogen. −2m∇i i 2 ij i=1 X   Xi6=j

4. the quantum coupling parameter (Brueckner pa- where R = (r1,σ1; r2,σ2; ... rN ,σN ), ri are the particle rameter) of electrons in the low-temperature limit, coordinates and σi their spin projections. Assuming first as pure state, the dynamics of the system are governed 2 ae ~ ǫb by the N-particle Schr¨odinger equation rs = , aB = , (2) aB mrQie ∂Ψ(R,t) −1/3 i~ = Hˆ Ψ(R,t), Ψ(R,t0)=Ψ0(R) , (4) where ae = (4/3πne) denotes the mean dis- ∂t tance between two electrons, aB is the first Bohr radius, and mr = memi/(me + mi) and ǫb are the that is supplemented by an initial condition and the nor- reduced mass and background dielectric constant, malization d3N R Ψ(R,t) 2 = N. For parti- σ1...σN | | respectively, for hydrogen m m , ǫ = 1, and cles with spin s, there are gs = 2s + 1 different spin r ≈ e b P R aB = 0.529A˚; projections, and each spin sum gives rise to a factor gs PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 (in the following, we will not write the spin arguments 5. the degree of ionization of the plasma: the ratio and spin sums explicitly). of the number of free electrons to the total (free ion The Schr¨odinger equation has been investigated in plus bound) electron number, α = ne/ntot, de- great detail and has many equivalent representations, in- termines how relevant plasma properties are com- cluding Schr¨odinger’s, Heisenberg’s and Feynman’s path pared to neutral gas or fluid effects. integral picture. An alternative representation was de- rived by Madelung [99], Bohm [100], and others by mak- The parameters χe,χi and Γi are shown in Fig. 1 where we indicate where these parameters equal one. We also ing an ansatz in terms of two real functions – the ampli- tude A and the phase S, plot three lines for constant values of rs. Note that

the classical coupling parameter increases with density i whereas the quantum coupling parameter decreases with Ψ(R,t)= A(R,t) e ~ S(R,t) . (5) ne. We underline that the parameters aB,EF e, Λe,θe contain the density of free electrons and Γi,χi the density Inserting this ansatz into the Schr¨odinger equation (4) of free ions. This means the lines of constant Γi,χe,χi,rs we obtain two coupled equations for the phase and the This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 5

squared amplitude Solutions of quantum problems with Bohm trajectories have been frequently attempted. An example are appli- ∂A2 N 1 cations in semiconductor quantum transport, by Barker + (v A2) = 0 , v S, (6) ∂t ∇i i · i ≡ m∇i et al., e.g. [101, 102] and references therein. For a more i=1 X general overview, see the text book by Wyatt [97]. Fi- ∂S N 1 p2 nally, we mention recent applications of the trajectory + V (r )+ Q(r )+ w + i = 0 , (7) approach to dense quantum plasmas where Coulomb in- ∂t  i i 2 ij 2m i=1 j6=i teraction effects are important: Gregori et al. proposed X  X  a new method how to sample the probability amplitude 2 where we denoted i ∂/∂ri. Obviously, equation (6) A from the pair distribution function to treat the dy- is nothing but the continuity∇ ≡ equation for the N-particle namic properties of equilibrium warm dense matter in probability density, A2(R,t) = Ψ(R,t) 2, with a 3N- linear response [103]. dimensional probability current density| vector| with the 2 components viαA with α = x,y,z. On the other hand, Eq. (7) has the form of a classical Hamilton-Jacobi equa- C. Many-body systems in a mixed state. Density tion where the momenta are defined as p = S. Also, operators i ∇i this equation contains an additional potential Q(ri) that arises from the quantum kinetic energy, If the many-body system (3) is coupled to the environ- ment – as is typically the case in plasmas – a description ~2 2A in terms of wave functions and the Schr¨odinger equation Q(r )= ∇i . (8) i −2m A (4) is no longer adequate. Instead, the system is de- scribed by an incoherent superposition of wave functions (“mixed state”). This can be taken into account, by re- B. Bohmian quantum mechanics placing the N-particle wave function by the N-particle density operator [39], Identifying in Eq. (7) the effective hamilton function H ρˆ(t)= p Ψa(t) Ψa(t) , Trρ ˆ(t) = 1 , (11) via ∂S/∂t + H = 0 allows one to formulate effective clas- a| ih | a sical equations of motion where the forces are produced X tot by the total potential V where the sum runs over projection operators on all so- lutions of the Schr¨odinger equation (4), and pa are real dpi ∂H tot = = iV (R), i = 1 ...N, (9) probabilities, 0 p 1, with p = 1. Here we dt − ∂r −∇ a a a i used a general representation-independent≤ ≤ form of the N P 1 quantum states. It is directly related to the wave func- V tot = V (r )+ Q(r )+ w . (10)  i i 2 ij tions if the coordinate representation is being applied: i=1 a a X  Xj6=i  R Ψ (t) =Ψ (R,t) [ R are eigenstates of the coordi- hnate| operatori in N-particleh | Hilbert space]. The previous Thus the N-particle quantum system is mapped onto a case of a pure state is naturally included in definition system of N coupled classical trajectories (9). The main (11) by setting pk = 1 and all pa6=k = 0. The second re- difference to a classical system is that the initial quantum lation (11) is the normalization condition where the trace state is not given by deterministic values for all particle denotes the sum over the diagonal matrix elements ofρ ˆ, coordinates and momenta but by an initial probability see below. density Ψ (R) 2. This can be taken into account by | 0 | The method of density operators is well established in frequently repeating the dynamics starting from many quantum many-body theory, and the Wigner represen- independent initial coordinates and momenta which are PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 tation – where the density operator transforms into the sampled randomly from this probability density. Wigner function (that is frequently being used in quan- Let us return to the assumption of an initial pure state. tum plasma theory) – is one of many, though not the A precise (including accurate phase) specification of an most efficient, representations. There is no room to go initial wave function is only possible for a limited num- into the formal details here, see e.g. the text book [39] or ber of cases including low temperature isolated quan- the reviews [45, 80]. Here we concentrate on a few aspects tum systems such as cold atoms in optical lattices or that are of particular relevance for the QHD equations for Bose-Einstein condensates, cf. Sec. III D. For plasma quantum plasmas. applications, instead, the system is always coupled to The equation of motion ofρ ˆ follows from the the environment which leads to an incoherent superposi- Schr¨odinger equation (4) and is given by α tion of wave functions Ψ with real probabilities pa, see ∂ Sec. III C. For the Bohm trajectory approach inclusion i~ ρˆ [H,ˆ ρˆ] = 0, (12) of mixed states does not pose a fundamental problem be- ∂t − cause such a state can be taken into account by using a ρˆ(t )= p Ψa Ψa , (13) a 2 0 a| 0ih 0| modified initial sampling probability a pa Ψ0(R) . a | | X P This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 6

which is the von Neumann equation supplemented by the expressed in terms of all possible products initial condition. From the N-particle density operator all cor time-dependent properties of a quantum system can be Ψ(R,t)= C{α}(t)φα1 (r1) ...φαN (rN )+Ψ (R,t) , obtained. However, in many cases simpler quantities are X{α} sufficient such as reduced s-particle density operators, (17)

including the single-particle density operator (which is where φαk (rk) denotes the orbital occupied by particle k, related to the distribution function or Wigner function) αk stands for any of the eigenfunctions of hˆ, and the sum [39]: runs over all possible products of eigenfunctions. Further Ψcor is due to correlations and is negligible if the system Fˆ (t) NTr ρˆ(t) , Tr Fˆ = N. (14) is weakly interacting, which we will assume. Finally, at 1 ≡ 2...N 1 1 low temperature, the sum contains only a single product,

The equation of motion for Fˆ1 follows straightforwardly corresponding to the ground state of the system. In the from Eq. (12) and will be given below, cf. Eq. (21). case of bosons in the condensate each particle occupies the same lowest energy orbital φ0,

i ~ S0 φα1 φα2 φαN φ0 = A0 e . (18) D. Quantum hydrodynamics for Bose-Einstein ≡ ≡ ≡ condensates In order to derive the Schr¨odinger equation and the quan- tum fluid equations for a Bose-Einstein condensate a con- Instead of the trajectory approach the Bohmian repre- venient approach is to use the method of density opera- sentation of the Schr¨odinger equation, Eqs. (6, 7), can be tors that was introduced in Sec. IIIC. We make further used to derive equations that resemble classical hydro- progress by introducing a decoupling of the N-particle dynamic equations for collective variables (fields) such density operator (first line) and of the two-particle den- as the particle density n(r,t) and the mean momentum sity operator (second line) that is analogous to Eq. (17): p(r,t). This is easily seen for the case of a single par- ˆ ˆ ˆ cor ticle, N = 1, where interactions are absent, w 0. ρˆ(t)= F1(t)F2(t) ... FN (t) +ρ ˆ (t) , (19) ij ≡ Then the equations (6, 7) can be rewritten identically as Fˆ12 = Fˆ1Fˆ2 +g ˆ12 , (20) coupled equations for the density, n(r,t)= A2(r,t), and momentum field p(r,t)= mv(r,t)= S(r,t), as already where the first term is a product of N single particle den- noticed by Madelung [99], ∇ sity operators and corresponds to independent particles whereas correlation effects are accounted for by the sec- ˆ ∂n ond operator. The equation of motion for F1 follows from + (vn) = 0, (15) ∂t ∇ the von Neumann equation (12): ∂p + v p = (V + Q), (16) ∂Fˆ ∂t ∇ −∇ i~ 1 [H¯ˆ , Fˆ ] = Tr [w ˆ , gˆ ] Iˆ , (21) ∂t − 1 1 2 12 12 ≡ 1 where again, the momentum evolution is driven by gradi- ¯ˆ ˆ ˆ H ˆ H ˆ H1(t)= H1 + H1 (t), H1 (t) Tr2wˆ12F2(t) , (22) ents of the external potential V and the quantum poten- ≡ tial Q, Eq. (8), with A √n. Note that these equations which is the general operator form of a quantum kinetic are equivalent to the original→ Schr¨odinger equation and equation where the collision integral Iˆ involves the pair are, therefore, exact and valid on all length and time correlation operatorg ˆ12. Equation (22) defines an effec- scales (as long as Eq. (4) is valid). tive single-particle hamiltonian that contains, in addition Let us now discuss the extension of this set of fluid- to kinetic and potential energy (first term), the Hartree like quantum equations to many-particle systems, such as mean field Hˆ H. The physical meaning of this term will PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 quantum plasmas. Returning to the original N-particle become clear below, in the context of Eqs. (23) and (28). system requires to restore all pair interactions wij as well Since we have assumed that the particles are weakly as the effects of finite temperature and the coupling to interacting, we neglect correlation effects, i.e.ρ ˆcor the environment (mixed state description). Finally, since 0, gˆ 0, as we did in Eq. (18). Then collisions→ 12 → the hydrodynamic equation contain single-particle quan- are absent (Iˆ1 = 0), and equation (21) reduces to the tities, a suitable procedure is required that reduces the time-dependent Hartree equation. In the Wigner rep- N-particle quantities to one-particle fields. resentation this becomes the familiar quantum Vlasov Before considering quantum plasmas we note that, for equation, and the one-particle density operator becomes weakly interacting bosons at low temperature, a very the Wigner function, Fˆ1(t) f(r, p,t). Here it is more simple solution of the original Schr¨odinger equation (4) convenient to use, instead of→ the Wigner representation, exists: using a basis of eigenfunctions φi of the single- the coordinate representation. Using eigenstates r of ~2 | i particle hamiltonian, hˆ = 2 + v(r ), i.e. hˆ φ = the coordinate operator,r ˆ, the density operator becomes i − 2m ∇i i i i ǫiφi, which are assumed to be complete and orthonor- the density matrix (we do not explicitly write the spin mal, φ φ = δ , the N-particle wave function can be arguments), r′ Fˆ (t) r′′ = f(r′, r′′,t). The coordinate h i| ji ij h | 1 | i This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 7

representation of Eq. (21) is given by [39] E. Schr¨odinger equation for dense plasmas. ~2 Comparison to density functional theory ∂ ′ ′′ 2 2 ′ ′′ i~ f(r , r ,t)= ′ ′′ f(r , r ,t) (23) ∂t −2m ∇r −∇r The example of a Bose-Einstein condensate (BEC) is + U eff (r′,t) Ueff (r′′,t) f(r′, r′′,t) − instructive to understand how the reduction of the N- eff H U (r,t)= U(r)+ U (r,t) , particle Schr¨odinger equation (or von Neumann equation for the density operator) to an effective single-particle U H(r,t)= g drw¯ (r r¯) f(¯r, r,t¯ ) , (24) s − Schr¨odinger equation (28), on one hand, and to quantum Z hydrodynamic equations for single-particle quantities, on where the diagonal element of the density matrix is the the other, works, cf. Eqs. (30, 31). At the same time, a density, f(r, r,t) = n(r,t). The interactions give rise to quantum plasma (in particular, the electron component) H an induced potential, U (r,t), the Hartree (or quantum differs in several important points from a BEC: Vlasov) mean field [the matrix element of Hartree mean field operator Hˆ H, Eq. (22)]. Obviously, U H is the solu- 1. The confinement potential V is not required and is tion of Poisson’s equation, usually absent. ∆φH(r,t)= 4πρind(r,t) , (25) 2. Plasmas typically contain (at least) two oppositely − charged components and are overall neutral. where the Hartree potential and induced charge density H H ind 2 are given by eφ = U , and ρ (r,t) = eN φ0(r,t) , 3. Due to the Fermi statistics two particles cannot oc- | | respectively [note that in the case of cold atoms, the in- cupy the same orbital φ0 (Pauli principle). teraction wij is not Coulombic but short-range]. From Eq. (23) we readily obtain the equation of the 4. Particles in a plasma are usually in a mixed state. condensate wave function φ . Similarly asρ ˆ, Eq. (11), the 0 We start by dealing with the first two issues. To this end, one-particle density operator is the projection operator we now drop the external potential and assume that sta- on one-particle states, which follows from Eq. (14), the bility and confinement of the electrons is provided by pure state assumption and the product ansatz of the wave charge neutrality, i.e. by the compensating ionic back- function (17), ground of mean density n0. In that case, the role of the Fˆ = NTr ψ (1) ... ψ (N) ψ (1) ... ψ (N) confinement potential V is taken over by the modified 2...N | 0 i | 0 ih 0 | h 0 | = N ψ (1) ψ (1) . (26) induced electronic charge density, in Eq. (25) which is 0 0 ind | ih | replaced by ρ en0. In that case the hydrodynamic This yields the following density matrix: equations (15, 16)− become r′ r′′ r′ r′′ f( , ,t)= N ψ0(1) ψ0(1) ∂n h | ′ ih∗ ′′ | i + (vn) = 0, (30) = Nφ0(r ,t)φ0(r ,t) , (27) ∂t ∇ ∂p which becomes a product of two condensate wave func- + v p = (U H + Q) , (31) tions. Inserting this into Eq. (23) we immediately iden- ∂t ∇ −∇ 0 tify that its solution is given by the following equation ~2 2 n(r) for the condensate wave function Q(r)= ∇ , (32) −2m n(r) ~2 p ~ ∂ 2 H i φ0(r,t)= r + V (r)+ UB0(r,t) φ0(r,t)(28), H 2 ∂t −2m∇ U (r,t)= drp2 w(r r2) N φ0(r2,t) n0 . (33)   0 − | | − Z U H (r,t)= N dr w(r r ) φ (r ,t) 2, (29)  B0 2 − 2 | 0 2 | We now turn to point 3. and analyze the effect of Z the Fermi statistics on the quantum hydrodynamic equa- Thus, φ is the solution of a nonlinear Schr¨odinger PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 0 tions. But first we consider how the effective single- equation or of the coupled Schr¨odinger-Poisson system particle Schr¨odinger equation (28) is modified in the case (28, 25) and is nothing but the Gross-Pitaevskii equa- of fermions. Starting with an analysis of the ground state tion [70, 71]. Since this is an effective single-particle (neglecting mixed state effects), the N-particle wave func- Schr¨odinger equation, it can again be mapped onto cou- tion can again be sought as a product of single-particle pled equations for amplitude and phase or, alternatively, orbitals φi (cf. second line), on the hydrodynamic equations (15, 16) with the only | i replacements V (r) V (r) + eφH(r,t) and n(r,t) = Ψ = 1, 1,..., 1, 0, 0,... (34) NA2(r,t). Finally, we→ note that here we allowed for an | i | i = φ1 φ2 ... φN + permutations , (35) external potential V (r) that is able to trap the parti- | i| i | i cles, as is the case for many experiments with ions or where each one is occupied by a single electron (or by ultracold atoms. Thus, a system of N weakly interacting two, in case we perform a spin-resolved analysis, and the quantum particles in a Bose-Einstein condensate behaves energies are spin-independent), where the correspond- essentially like a singly particle subject to an additional ing single particle energies are understood to be ordered, effective mean field U H . ǫ ǫ ǫ . B0 1 ≤ 2 ≤···≤ N This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 8

1. Ground state results its solid theoretical foundation on the Runge-Gross the- orem [104] and the corresponding theorems for time- The ground state corresponds to the N energetically independent DFT [105]. The basic statement is that a lowest orbitals being occupied, as indicated by Eq. ( 34). system of N interacting fermions can be mapped exactly Note that the correct ground state wave function is a on a system of N non-interacting particles with the same Slater determinant (it corresponds to all N! possible ways density n(r,t) where all interactions are lumped into an to distribute N particles over these orbitals). This is effective single-particle potential that is a direct general- written in the first line in occupation number represen- ization of the Hartree potential (38), tation: the notation means that the N lowest orbitals H H xc ˜ UF 0(r,t) UF [n(r,t)] + V [n(r, t); β,µ] , (39) are exactly occupied by fi = 1 particle each, whereas all → higher orbitals are empty, f = 0 ,i>N. H i U [n(r,t)] = dr2 w(r r2)[gsn(r2,t) n0], (40) From these arguments it is clear that the single-particle F − − Z density operator has the form ∞ n(r,t; β,µ)= f (β,µ) φ (r,t) 2 . (41) ˆ i | i | F1 = N Tr2...N Ψ Ψ i=0 | ih | X N = φ1 φ1 + + φN φN , (36) The first remarkable property of these equations is N {| ih | ··· | ih |} that, both, the mean field and the additional exchange- corresponding to the N orbitals particle “1” can occupy correlation potential do not explicitly depend on the in- with equal probability 1/N. From this we again obtain dividual orbital wave functions but only on the total den- the density matrix by multiplying with coordinate eigen- sity, so also the coordinate dependence is only implicit, states r′ and r′′ : via the functional n(r,t). h | | i Second, we indicated that the ground state result is f(r′, r′′,t)= φ (r′,t)φ∗(r′′,t)+ + φ (r′,t)φ∗ (r′′,t) . 1 1 ··· N N directly extended to equilibrium systems at finite tem- −1 We now insert this ansatz into the equation of motion perature kBT = β and given chemical potential µ = (23). It is easy to verify that this equation is solved µ(n,T ) (grand ensemble). This extension is realized in when each orbital fulfills the following single-particle a very simple form, by replacing the above occupation Schr¨odinger equation (i = 1 ...N) numbers fi by temperature and density-dependent num- bers. In equilibrium these numbers are known and given ~2 −1 ~ ∂ 2 H by the Fermi function fi(β,µ) = [exp β(ǫi µ) + 1] . i φi(r,t)= r + UF 0(r,t) φi(r,t) , (37) { − } ∂t −2m∇ The fi have to be understood as mean orbital occupa-   tion numbers that, in general, deviate from zero and H U (r,t)= dr2 w(r r2)[gsn(r2,t) n0], (38) one which requires to extend the sum in (41) to infinity. F 0 − − Z This extension of DFT to finite temperatures is originally where the fermionic Hartree mean field contains the den- due to Mermin [106] and is now widely used in dense N 2 sities of all occupied orbitals, n(r,t) = i=1 φi(r,t) . plasma and warm dense matter simulations, e.g. [107]. Equations (37) and (38) are the time-dependent| Hartree| In Eq. (40) we also indicated that, at finite tempera- equations for weakly interacting fermionsP (interactions ture, V xc carries a temperature dependence, and recently, are taken into account approximately, only via this mean first ab initio results for the local density approximation field). Note that, while the equations for the individual (LDA) and for the generalized gradient approximation orbitals all have the same form, they are in fact cou- (GGA) have been reported, e.g. [108–110], and refer- pled via the Hartree mean field. Further, all orbitals ences therein. differ due to the Pauli principle which is assured by en- Even though the theorems of DFT prove the existence xc forcing the orthonormality condition, φi φj = δij, and of the functional V , its exact form is, in most cases, the ground state is obtained from minimizationh | i of the not known. The power of the method is due to the fact PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 total energy. The missing exchange and correlation con- that high quality approximation for V xc are available, tributions can be taken into account approximately by that are constantly improve by a large community, for adding the exchange-correlation potential V xc(r,t) [and, an overview see Ref. [111, 112]. A particular problem in general, also an external potential V (r)] to the Hartree of time-dependent DFT is that the exact functional V xc potential, as we discuss in the next section. does not only depend on the current density n(r,t) but, in general the dependence is also on the density profile at earlier times, n(r, t˜), 0 t˜ t. While most current 2. Including exchange, correlations and finite temperature implementations neglect this≤ “memory”≤ effect and use an effects adiabatic approximation (e.g. adiabatic LDA, ALDA), t˜ t, presently extensive research is devoted to finding In fact, with V xc added, equations (37, 38) are the efficient→ improved functionals that go beyond that limit. time-dependent Kohn-Sham equations–the basic equa- To conclude this discussion, we underline that the ac- tions of time-dependent density functional theory (TD- curacy of DFT and TD-DFT is rooted in the simultane- DFT) [104]. A particular strength of this theory is ous access to all time-dependent orbitals φi which also This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 9

allows for an efficient treatment of partially ionized plas- denote by a “bar”: mas and the crossover the condensed matter and plasma phases upon heating or compression. In contrast, QHD 1 ∞ n(r,t)= f n (r,t) , (45) aims at transferring the many-body problem to coupled N i i i=1 equations for a single mean density and a single mean ve- X locity. Therefore, in general, information is lost, and the 1 ∞ p(r,t)= f p (r,t) , (46) accuracy is reduced [78]. In the following, we discuss how N i i i=1 this transition to hydrodynamic equations can be system- X 2 ∞ 2 atically achieved for fermions, starting from Eqs. (37) and ~ ni(r) Q(r,t)= fi ∇ . (47) (38). −2mN r i=1 pni( ) X p Here we introduced the statistical weights fi (mean oc- cupation numbers) of the orbitals and extended the sum to infinity, as done in Eq. (41). In thermodynamic equi- F. Quantum hydrodynamics for dense plasmas librium they are given by a Fermi distribution, which in the ground state (pure state) reduces to the Fermi step function f = Θ(E ǫ ). (Note that, if this function is We start from the time-dependent Hartree equations i F − i (37) and (38) and convert each solution, φi(r,t) = converted to a function of momentum or velocity, corre- i Si(r,t) lation effects will lead to a deviation from a Fermi func- Ai(r,t)e ~ , into an individual pair of amplitude and phase equations [76], tion). We note that the same averaging procedure was considered before. In Ref. [75] the authors assumed that all orbital amplitudes are equal [cf. Eq. (55)] whereas, ∂n in Ref. [76], it was assumed that one can substitute i 2 2 + (vini) = 0, (42) ∞ ∇ √ni(r) ∇ √n(r) ∂t ∇ i=1 fi . Here we avoid any as- √ni(r) → √n(r) ∂pi H + vi pi = (UF 0 + Qi) , (43) sumptionP but present a systematic derivation that allow ∂t ∇ −∇ to understand the applicability limits of these assump- 2 2 ~ ni(r) tions and to derive corrections. Qi(r)= ∇ , (44) −2m pni(r) As an illustrative example we consider a uniform elec- tron gas in three dimensions (0 x,y,z L) where the p ideal orbitals are plane waves, ≤ ≤ 2 where ni = Ai and pi = Si. This system can be un- ∇ −3/2 −i(Emt−kmr)/~ derstood as “microscopic QHD equations (MQHD)” and φm(r,t)= L e , (48) is fully equivalent to TD-DFT and quantum kinetic the- 2π km = m, m = 1, 2,..., α = x,y,z, ory (QKT) – the differences depend on the treatment L α ± ± of correlation effects via an exchange correlation poten- xc tial, V , that was discussed above, or collision inte- with the orbital energies E(k)= ~2k2/2m [80]. Thus, in grals, in the case of QKT. We show in the appendix that this case, the orbital index “i” is replaced by the multi- the linear response properties of the present microscopic index (mx, my, mz). The plane waves (48) form a com- QHD (i.e. without exchange and correlation corrections) plete set of wave functions and are solutions of the system are, in fact, equivalent to the random phase approxima- (37) in the case of w 0 (i.e. without the Hartree po- tion (RPA). In particular, they yield the correct plasmon tential), and in the ground→ state (T = 0) all orbitals with spectrum and the correct screening of a test charge – in momenta up to the Fermi momentum ~kF are occupied. PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 contrast to the standard QHD (see below). Finally, we If the Hartree mean field is included, the solutions are note that the MQHD equations are closed, i.e. they are not given by the system (48) but can be constructed as not coupled to additional equations of higher moments a linear superposition: of the distribution function fi, as in the case of standard fluid theory. H m m φ (r,t)= C ′ φm′ (r,t), C ′ C. (49) m m m ∈ m′ X To proceed from the microscopic QHD equations (42, 1. Averaging over the orbitals 43, 44) to the QHD equations, we express each of the orbital quantities (ni, pi, Qi) in terms of their averages and fluctuations: ni = n + δni, and so on. This al- To convert these microscopic equations into a single lows us to perform an orbital average of the microscopic pair of density and momentum equations (QHD), a suit- equations (42, 43, 44) taking into account that the av- able averaging over the orbitals is necessary which we erage of products of two orbital quantities is given by This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 10

a b = a b + δa δb , 2. Linearization. Application to plasma oscillations i i · i i ∂n 1 1 + (p n)= δp δni, (50) ∂t m∇ · −m∇ i Let us briefly discuss some consequencies of the equa- ∂p 1 1 tions (50), (51) and (52). Without an external field + p divp = U H + Q δp divδp ,(51) ∂t m · −∇ F 0 − m i i the system is spatially homogeneous, n =const, and ~2 2 p = Q = 0. The stability condition is then given by √n ∆  Q = ∇ + Q , (52) H id −2m √n UF 0 = P F 0/n. Next we investigate the spectrum of collective− modes of the system. To this end we ap- ~2 δA 2 ∆ 2 i ply a weak monochromatic perturbation to the Hartree Q δAi δAi + O . (53) ≈ 2mn ·∇ A −iωt+iqr   ! mean field, φ1(r,t) e . After linearization and Fourier transformation,∼ we obtain the following spectrum We underline that this averaging over “i” is associated of plasma oscillations [for details see the appendix], with an averaging over the individual orbitals φi(r,t) which inevitably causes a loss of spatial and temporal resolution [78], as in classical hydrodynamics. 1 ~2 ω(q)2 = ω2 + v2 q2 + q4 . (56) Let us discuss this very general result. First, the corre- p 3 F 4m2 lator of the momentum fluctuations can be rewritten in coordinates as (α,β = x,y,z, summation over repeated Greek indices is implied) This agrees with the plasmon dispersion of an ideal three- dimensional Fermi gas, except for the coefficient of the q2 1 1 1 2 term which is known from kinetic theory to be equal 3/5. δpiα∂βδpiβ = ∂αδpiα + ∂γ δpiαδpiγ , γ = α m 2m m 6 Thus the present QHD model yields a coefficient that is 1 1 by a factor 9/5 too small, as was noticed in Ref. [83]. = ∂αEkin + ∂γ σαγ . 3 n Thus, while here the Bohm potential Q is correct (it pro- 1 duces the correct coefficient of the q4 term) the Fermi ∂αEF , ideal Fermigas, T = 0 .(54) ≈ 5 pressure term is not. We underline that, for an ideal The first (diagonal) term is nothing but the average ki- 3D Fermi gas at T = 0, the Fermi pressure is tied to the 2 netic energy per particle, arising from the momentum Fermi energy as 5 nEF without any freedom of choice. In variance which is non-zero, even in a pure state. For contrast, the microscopic QHD equations (43, 44) yield the ideal Fermi gas (48) in the thermodynamic limit the correct result, as is shown in the appendix. Inter- (N , L , n = N/L3 = const) at T = 0 this estingly, in a 1D model the coefficient of the q2 term is → ∞ → ∞ 2 is directly related to the pressure of a three-dimensional vF , which coincides with the quantum kinetic (MQHD) 2 4 id 2 result, however, in 2D, the coefficients of the q and q quantum plasma via P F 0(n) = 5 nEF (n). The second term contains non-diagonal elements of the pressure ten- terms are incorrect [in all cases a 3D Coulomb potential sor, i.e. the mean shear stress. Here we will focus on has been used, cf. the appendix]. weakly nonideal Fermi systems where the shear stress is In fact, the discrepancies between QHD and micro- negligible (third line). Thus, for a 3D ideal Fermi gas, scopic QHD are more far-reaching. Aside from the inac- id 1 id curacy of the prefactor of the pressure, P , in general, the last term in Eq. (51) becomes 2n P (n). The re- sults for 1D and 2D are given in the− appendix.∇ We will also the prefactor of the Bohm term Q in Eq. (52) re- return to the question of possible closures of the QHD quires adjustments. This term depends on the frequency equations at the end of this section. and the wave number of the excitation, ω and k: for ex- Second, for an ideal Fermi gas at T = 0 all amplitudes ample, for small ω, there appears an additional factor 2 −3 are given by Eq. (48): ni = Ai = L n. Thus, 1/9 [81]. This is crucial, e.g. for the correct description ≡ of screening of a test charge in a quantum plasma and for PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 all density fluctuations vanish exactly, δni = 0, and the r.h.s. of Eq. (50) and also Q∆ vanish. The same result the dispersion of ion-acoustic modes. A comprehensive would also be obtained if the system is in a weak external analysis of the ω- and k-dependence of these coefficients potential V (r) so that the orbitals become weakly space- has been performed in Ref. [83]. To summarize, our anal- dependent but remain equal, ysis shows that the assumption of identical orbital am- plitudes A , Eq. (55), holds strictly only for a zero tem- A (r)= = A (r) , (55) i 1 ··· N perature ideal Fermi gas for which the orbitals are given what still enforces vanishing of the density fluctuations. by Eq. (48) when the mean field is neglected [with U H With this we recover the result of Manfredi and Haas [75] taken into account, the solutions are given by Eq. (49) that they derived for a one-dimensional ideal Fermi gas and not necessarily fulfill condition (55)]. This leads to at T = 0 from the assumption (55). Finally, we note that the correct plasmon dispersion in 1D and may be an in- the above result is naturally generalized to finite temper- dication why QHD models have been found to work well atures by using the corresponding statistical weights fi for some high-frequency excitations of electrons in metals that are given by a Fermi function instead of the step or metallic nanostructures [113], although there slightly function [76, 83]. different model equations are being used, e.g. [33, 72, 73]. This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 11

3. Discussion of the QHD equations and possible The values of α and γ for the important limiting improvements cases of high and low frequency, as well as high and low wave number are known analytically, even Let us try to understand the origin of the problems of at finite temperature [83]. Thus for these situations the QHD equations that were mentioned above. This is reliable simulations are possible. easily seen by comparing step by step the linearization 4. The term Q∆ as well as the r.h.s. of Eq. (50) were procedure of the QHD and the MQHD equations. While neglected in the derivation of Ref. [75], which was in QHD the microscopic equations (42, 43 and 44) are justified by the assumption (55). However, when first averaged over the orbitals (over “i′′) and then lin- the orbital amplitudes are not identical both terms earized, in MQHD, in contrast, linearization is done first become relevant, and it will be very interesting to and averaging second. Of course the order is crucial and study their consequences. the approach of MQHD (and, equivalently, quantum ki- netic theory) is more accurate than the QHD procedure. 5. If interactions in the Fermi gas are treated more The difference becomes already clear from an analysis of accurately (beyond the Hartree mean field approxi- the linearized continuity equation after Fourier transfor- mation), also interaction contributions to the Fermi mation [details are given in the appendix]: pressure and the shear stress σαβ become impor- tant. Here one can either derive an equation of n˜1(ω, q) QHD : q v˜1(ω, q)= ω, (57) motion for σ and find a proper closure of the · n αβ 0 corresponding extended QHD equations. Alterna- n˜ (ω, q) i1 tively, if the orbital occupations fi are known, σαβ MQHD : q v˜i1(ω, q)= (ω q vi0) . (58) · ni0 − · can be computed explicitly. While the left hand side of the MQHD, after averag- 6. Adding exchange and correlations is an obvious im- ing, coincides with the l.h.s. of the QHD, averaging provement of the theory, and a simple ansatz for of the r.h.s. of the MQHD result does not reduce to V xc was suggested in Ref. [77]. Advanced approx- the QHD because the averaging is over a product of imations can be obtained by following the experi- three i-dependent quantities. Most importantly, in the ence from TD-DFT, cf. the discussion of the time- MQHD the unperturbed velocities enter which are non- dependent Kohn-Sham equations (37). At the same zero in general. For example, for an ideal Fermi gas [cf. time, inclusion of V xc cannot compensate for de- Eq. (48)], vi Si ki, which are densely packed in the ficiencies in the treatment of Fermi pressure and range of [ k ∼∇,k ].∼ This is a consequence of Fermi statis- − F F Bohm potential. Moreover, the contributions from tics and of the Pauli principle. In contrast, in QHD only V xc should be consistent with the closure of the the mean unperturbed velocity enters which, for a field- QHD equations (see above). free system is zero, v0 = 0. Similar behavior is observed in the momentum balance. 7. The present approach of the microscopic QHD Based on this analysis we conclude this section with a equations can be straightforwardly extended to ex- brief summary and outlook on QHD: plicitly include the spin degrees of freedom and spin 1. The equation of motion for the single-particle den- dynamics. sity operator, Eqs. (21) and (23), is a convenient From this summary it is clear that there is plenty of and general starting point for the strict derivation room for substantial further improvements of the QHD of TD-DFT and of the QHD equations for bosons for fermions. We will return to a discussion of the QHD and fermions. equations and their perspectives for quantum plasmas 2. Introducing a Hartree product ansatz for the N- below, in Secs. VI D and VII.

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 particle wave function and the occupation num- ber representation (35) directly yields microscopic QHD equations [76] with orbital resolved densities IV. TRANSFER OF PLASMA PHYSICS RESULTS FROM ONE SYSTEM TO ANOTHER and momenta that allow for a systematic and in- tuitive derivation of the QHD equations for dense plasmas, as well as for future improvements. There is a successful tradition in plasma physics: the dominant role of the strong and long-range Coulomb in- 3. The comparison of Eqs. (57) and (58) indicates that teraction between charged particles allows to transfer re- in the linearized Fourier transformed QHD equa- sults that were obtained for one type of plasma to an- tions the Fermi pressure and the Bohm potential other one. This applies, in particular, to high-frequency must have prefactors that depend on frequency, plasma oscillations (Langmuir waves) in the long wave- wave number and dimensionality D, length limit which have a universal value, ω(k 0) = 2 1/2 → ωpl = (4πnee /me) . The electron plasma frequency P α(ω,k,D) P , (59) F → F depends on the environment of the electrons: for ex- Q γ(ω,k,D) Q. (60) ample, in a solid, the effective electron mass depends → This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 12

on the band structure and is, in general, different from and, moreover, occupy different energy bands α. Only eff the free electron mass, i.e. me me . Furthermore, in the limit of very small momenta a parabolic momen- in a semiconductor, the Coulomb→ interaction is screened tum dependence is observed where one can use the con- 2 2 eff 2 2 by the surrounding lattice, and e e /ǫb, where the cept of an effective “mass” given by 1/mα d ǫα/dp . background dielectric constant is typically→ in the range This means that, only for very weak excitation∼ will the of 10 ... 20, see Eq. (2). Thus, the plasma frequency is electron intraband dynamics and plasma oscillations be the same function in any system with Coulomb interac- governed by a quadratic dispersion. For strong excita- eff tion, ωpl = ωpl[me ,ǫb], and knowledge of the effective tion and, in particular, for nonlinear modes, the devia- mass and background dielectric constant is sufficient to tion from the plasma-like quadratic dispersion may be compute it. dramatic. Note that, while the long wavelength limit of the dis- While plasma oscillations in metals are typically car- persion, ωpl, depends only on material parameters, the ried by electrons occupying the highest energy band (con- dispersion duction band, “c”), the situation in semiconductors is ω2(k)= ω2 + a k2 + a k4 + ... , (61) different. Here, the uppermost two bands (the conduc- pl 2 4 tion band and the valence band, “v”) are separated by at finite k may be very different in different plasmas, an energy gap (band gap), Egap = ǫc(0) ǫv(0), [this is strongly depending on the correlations in the system, i.e. written for the case of a direct gap] that− is on the order on the value of rs, see e.g. Ref. [114]. The same applies of 0.5 ... 3eV. At normal conditions, typically the con- to the plasmon damping. Thus, there is no universal way duction band is empty [an exception are doped semicon- to transfer the results for the coefficients a2,a4,... from ductors that require a separate more involved analysis]. an electron-ion plasma to other plasmas. Just taking the By applying an external excitation, such as a laser pulse, results for a2,a4,... for an electron-ion plasmas and re- electrons can be transferred from the valence band to the placing the densities, masses and dielectric function by conduction band. The electron that is now “missing” in those of the new system, as it is often done in the QHD- the valence band behaves like a positive particle (a hole) quantum plasma publications, will generally lead to in- with an effective mass that depends on the curvature correct results. Furthermore, the low-frequency acoustic of the valence band, cf. Eq. (62). Intense laser excita- modes are strongly differing in different two-component tion then creates an “electron-hole plasma”. The density plasmas, depending on the material details. of this plasma depends on the laser intensity (photon number) and may correspond to a classical or quantum plasma, cf. Fig. 1. A. Plasmas in solid state systems Note that this plasma may be far from equilibrium, if the photon energy exceeds the band gap, ~ω>Egap, e.g. A well-known example of transfer of plasma physics [32, 39]. Another difference from electron-ion plasmas is results are condensed matter systems such as metals and the finite life time of this e-h-plasma: electrons in the semiconductors. Plasma oscillations in metals were in- conduction band will ultimately spontaneously return to vestigated, in analogy to gas plasmas, already by Bohm the valence band (recombine with a hole). This occurs and Pines [40, 41]. This was the first example of a quan- on times on the order of τrec 1ps. So any plasma tum plasma, cf. Fig. 1. oscillation that has a period T ∼ 2π/ω that is longer osc ∼ osc The second example is the electron-hole plasma in than the e-h-life time, τrec, will be not observable. semiconductors that – to some extent – can be modeled Thus we conclude that the transfer of results for as a two-component plasma where the (positive) holes plasma oscillations from e-i-plasmas to condensed mat- (h) take over the role of the ions. Then, the results from ter systems is only possible for a very limited number of an electron-ion plasma are readily transferred to an e- cases. In particular, nonlinear oscillations, such as soli- h plasma by properly rescaling the particle masses and tons, cannot be transferred, due to the different energy PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 background dielectric constant, as discussed above. In dispersion (62). The same is true for low-frequency os- particular, the traditional fluid approach developed for cillations that will not be observable in semiconductors e-i plasmas to compute plasma oscillations, waves, and due to the finite life time of e-h-pairs. This does not instabilities, has been applied to e-h plasmas already in mean that such modes cannot exist in condensed mat- the 1960s and 1970s, e.g. [115] and references therein. ter plasmas. However, they have to be derived from a However, semiconductor physics has made dramatic realistic model of the solid. Their properties can defi- progress during the last four decades, and it is clear that nitely not be derived from a two-component e-i-plasma a two-fluid description is way too simple for most prob- model (fluid or kinetic) by simply rescaling masses and lems (hydrodynamic models are still being applied oc- dielectric constants. We stress that this has nothing to casionally, mostly to transport problems). Most impor- do with the type of plasma model that is being used. At tantly, electrons in solids do not have a parabolic energy the same time, it is the large number of QHD-quantum dispersion as in a plasma, i.e. plasma papers that have applied exactly such a purely p2 formal “rescaling” procedure that leads to “semiconduc- ǫ (p), α = 1, 2,... , (62) 2m → α tor plasmas” that have nothing to do with reality. This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 13

An improved description of condensed matter plasmas some detail. Typical densities and temperatures of dusty that goes beyond fluid models, based on quantum kinetic plasmas are sketched in Fig. 2. The line “50 % ioniza- theory within the random phase approximation, has al- tion” divides the ranges where neutral particles dominate ready been developed long ago, e.g. [116–118], and ref- (inside the line) from the highly ionized case. For defi- erences therein. The modern theoretical description of niteness, this line is shown for hydrogen, but its location electron-hole plasmas, e.g. [31, 32], includes details of only slightly differs for other plasmas, see also Sec. V C. the band structure, disorder, Coulomb correlations and In addition to the dimensionless plasma parameters that bound states (excitons, trions, biexcitons [119, 120]), the were introduced in Sec. IV, the presence of dust particles effect of the lattice (phonons) and kinetic effects that gives rise to the following additional parameters: are important, in particular, for nonresonant laser exci- 6.: the parameters of individual dust particles: the par- tation of semiconductors. So, although fluid models are ticle radius and charge number, aD,ZD, the atomic still occasionally used, state of the art approaches in the species “A” and mass density ρD, and the binding field of semiconductors and metals as well are DFT, time- energy ED of atoms to the dust particle; dependent DFT and quantum kinetic theory. To summarize, only a quite limited number of prop- 7.: the Havnes parameter P = Zd nD/ne, that is the | | erties of quantum (or classical) plasmas in solids can, in ratio of the charge density concentrated on the dust some cases, be approximately described by fluid models. particles to the free electron density. Thus, when transferring (classical or quantum) hydro- 8.: the dimensionless dust particle surface potential, dynamic results from e-i-plasmas to semiconductors or φ = Z e2/a k T , (63) metals, in each case, a very careful analysis of the valid- s − d D B e ity of a fluid description is mandatory. This requires to for which the simplest approximation is given by the or- first perform a state of the art theoretical analysis and bital motion limited theory (OML) [124]. Equating the then prove that it is justified to reduce it to a fluid model, fluxes of electrons and ions, φ can be evaluated from the for the considered application. Furthermore, additional s equation effects such as finite lifetime, dissipation and deviation from a parabolic energy dispersion or from thermal equi- m T T i e e−φs = 1+ φ e , (64) librium have to be analyzed. m T s T r e i  i  where electron release from the dust particle surface due to radiation is neglected. In the special case of an isother- B. Dusty plasmas mal plasma with Te = Ti, φs depends only on the mass ratio. Then, for the example of a hydrogen (helium) A field to which results from electron-ion plasmas plasma, φ 2.5 (φ 3). In general, for any atomic s ≃ s ≃ have been transferred successfully are dusty plasmas that mass, φs . 5. Note that for the non-isothermal case, have been actively studied for more than 25 years. The the value of φs weakly depends on Te/Ti. For instance, addition of micrometer-size “dust” particles to a low- at Te/Ti = 100, φs is approximately two times smaller temperature plasma leads to a broad range of novel phe- compared to the isothermal case. nomena, e.g. [121–123]. They include strong correlation Furthermore, the effect of collisions is to decrease effects, due to the high charge (on the order of several the dust particle surface potential [128, 129]. Also, thousand elementary charges) of these particles giving φs is restricted from above by the tensile strength of rise to large classical coupling parameters Γd, of the dust the dust material. Fracturing will occur if the electro- component, e.g. [124], and interesting transport and wave static stress, inside of a dust particle due to charging, 2 phenomena [125]. Dusty plasmas have successfully been S (φskBTe/eaD) , exceeds the tensile strength [130]. described by transferring results from multi-component Additionally,∼ the grain surface potential is limited by e-i-plasmas by treating the dust particles like (negative) electron (ion) field emission [130]. In general φ may

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 s macro-ions. A well-known example is the prediction of depend on many additional factors including the plasma dust acoustic waves, in analogy to ion-acoustic waves, particle temperatures and densities, dust particle mate- by Rao, Shukla and Yu [126] that were experimentally rial, size and shape, external fields (electrostatic, mag- verified by Barkan, Merlino, and D’Angelo [127]. At netic, radiation). Nevertheless, the majority of studies on the same time, despite the similarity with electron-ion dust particle charging in different plasma environments plasmas, there are important differences that have to clearly show that the dimensionless dust particle surface be taken into account and limit a direct transfer of re- potential, φs , is on the order of 1. Specifically, this is sults. This includes the low degree of ionization, as well true for dust| charging| by external radiation [131], which as the anisothermal and nonequilibrium character of the is important for consideration of dust in astrophysical plasma. The relevance of these effects can be directly contexts. tested in experiments. These results have also frequently been directly ap- Since we will be interested in the extension to “quan- plied to “Quantum Dusty Plasmas” which has to be ques- tum dusty plasmas”, cf. Sec. V, it is instructive to con- tioned. The correct extension to quantum plasmas will sider the parameters of conventional dusty plasmas in be discussed in Sec. VA. This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 14

V. “QUANTUM DUSTY PLASMAS” Reference Plasma density Temperature Dust parameters −3 ne[cm ] T [K] A : aD[µm] [94] ? ? ?:? It is certainly an interesting idea to combine dusty plas- 25 − 27 5 mas and quantum plasmas by “adding” dust particles [160] 10 10 10 C:? [165] 1024 300 ?:? to a quantum plasma or by cooling a dusty plasma to − [161] 1024 ? ?:10 2 low temperatures, giving rise to a new field of “quantum [164] 1027 108 ?:? dusty plasma” (QDP). As in the case of dusty plasmas, [147] 5 × 1023 100 ?:? this promises many novel physical phenomena. In fact, [134] 5.9 × 1022 6.4 × 104 ?:? this idea was put forward in 2005 by Shukla and Ali [94]. [139] 1023 104 − 105 ?:? That paper has had, and continues to have, a high im- [167] ? ? ?:? pact in the field (it collected more than 90 and the follow- [142] 5 × 1029 100 ?:? up paper [132] more than 130 citations), so it is fair to quote from it to describe the concept of QDP: “...when TABLE I. Parameters of quantum dusty plasmas that were a dusty plasma is cooled to an extremely low tempera- used in the references listed in the left column which are typ- ture....ultracold dusty plasma behaves like a Fermi gas...” ical examples. “A” denotes the chemical element and aD the More details on this paper are discussed in the supple- radius of the dust particles. Missing information is indicated ment [95]. by question marks. The work [94] has been followed by a large num- ber of papers on QDP that were dedicated to impor- below). Moreover, the missing information makes it dif- tant plasma physics phenomena, such as the Jeans in- ficult to reproduce the results of the theoretical analysis stability [132–137], different types of dust ion acous- or, at least, verify their physical significance. This is crit- tic waves [134, 138–159], the dust-lower-hybrid insta- ical since QDP studies have been motivated by their au- bility [160, 161], new low-frequency oscillations [162], thors by claiming importance of dust particles for nearly plasma waves and instabilities under a gravitational field all quantum plasmas, including such diverse objects as [163, 164], screening effects [165], and nonlinear ion white dwarf stars, the outer envelope of neutron stars, acoustic waves [166]. These and related studies demon- as well as metals and micro- and nano-electromechanical strated that the inclusion of charged dust particles leads devices. to a broad set of waves and oscillations that is much However, to date not a single experiment with dust richer than in “ordinary” electron-ion quantum plasmas particles in a quantum plasma has been reported. This (see e.g. Refs. [148, 159, 162]). In addition, it was shown is very surprising considering the strong effect dust par- that the presence of the charged dust particles signifi- ticles are known to have on the properties of classi- cantly affects the parameters of the acoustic waves and cal plasmas and the achieved good agreement of experi- ionic solitons [166] in quantum plasmas due to modifi- ments with the theoretical predictions in that field, e.g. cation of the charge balance between ions and electrons. [121, 168, 169] which indicates an overall good under- On the other hand, the results that are well-known from standing of these systems. The answer to the question classical (dusty) plasmas get modified due to incorpo- why there are no QDP experiments is simple: as we will ration of quantum corrections. For example, quantum show in Secs. VC, these systems do not exist in reality. effects have been reported to stabilize the Jeans insta- Let us start by giving a definition of a quantum dusty bility [132, 133, 164, 167], and dust acoustic waves are plasma. Following the concept of Ref. [94] that a quan- modified due to quantum effects [134, 143, 144, 147]. tum dusty plasma is produced by cooling a classical dusty plasma (see above), we formulate three requirements:

A. Basic parameters of QDP I.: The plasma should be quantum degenerate. Com- pared to Ref. [94] we relax this condition by requir-

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 ing only that the electrons are quantum degenerate. In the above mentioned papers quantum dusty plas- mas with a broad range of parameters were considered, II.: The plasma should contain stable dust particles of a few characteristic examples are listed in table I. The micrometer (or at least nanometer) diameter that authors considered a huge range of temperatures – from are clearly distinct from atoms, ions and molecules cryogenic (T 100 K) to extremely hot (T = 108 K), by their (significantly bigger) size and charge. To whereas the plasma∼ density was typically assumed to be be specific we will require that a dust particle con- 23 −3 3 very high, ne & 10 cm . At the same time, the param- tains at least NA = 10 atoms [this number is not eters describing the dust particles such as their material, critical for our results obtained in Sec. V C which geometry and size, are often omitted (this is indicated are valid even for NA = 1]. by the question marks in the table) suggesting that the III.: The dust particles should be stable in the presence results are independent of the dust particle properties. of the quantum electron component. This is difficult to understand since the particle radius is crucial, e.g. for the particle charge, surface poten- An additional parameter characterizing QDP is the dust 3 tial, coupling parameter and degeneracy parameter (see degeneracy parameter, χD = nDΛD, which is a factor This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 15

this is not sufficient to realize quantum degeneracy ef- fects because the parameters depend only on the number of free electrons (ions). For vanishing ionization degree, αion, the system is neutral. Thus the sufficient condition ∗ ion 3 for electron degeneracy is that χe = neα Λe > 1 where the line χ∗ = 1 is a factor αion to the right of the line χe = 1. Since isochoric cooling of a plasma gives rise to the formation of atoms and molecules (αion 0) it is impossible to achieve quantum degeneracy of electrons→ this way, at least at low densities. Of course, cooling will ultimately lead to a quantum state of matter when the DeBrogie wave length of atoms or molecules is comparable to their interparticle distance. For the example of hydrogen atoms this will happen be- low the line χp = 1 in Fig. 2. Even though the behavior of dust particles immersed into a neutral quantum Fermi or Bose gas (or fluid) is certainly interesting, this violates condition I., as this is not a plasma. FIG. 2. Typical parameters of classical dusty plasmas and Thus, for a QDP we have to concentrate on parameters predicted occurences of “quantum dusty plasmas”. Dust par- where χ∗ 1. In an isothermal plasma, ionization is ticles can only exist inside the orange shaded area: to the left e ≥ max observed for densities exceeding of the line nD , Eq. (73), [shown for carbon and particles 3 containing NA = 10 atoms], and below the grain melting nion 5 1023cm−3 , (65) line. “Classical dusty plasmas” refers to the (nonequilibrium) e ∼ · electron component in RF discharges in the case of full (single) ionization. The free electron density follows by multiplying For illustration, the line where 50% ionization is observed with the degree of ionization, αion. Inside the line “50% ion- is depicted in Fig. 2, for the case of hydrogen. The esti- ization” the plasma is predominantly neutral. Dust quantum mate (65) will be derived in Sec. V C. effects set in below the line, χD = 1, inside the orange shaded Let us now turn to condition II. for the dust compo- − area, i.e. for T . 10 4K, see Sec. VD B). nent. The existence of stable dust particles requires that their temperature does not exceed their melting temper- ature, which is shown in Fig. 2 by the horizontal line 3/2 (meTe/mDTD) smaller than the one of the electrons. “grain melting”. This line gives an estimate from above For an isothermal plasma and carbon dust of minimal for known materials, a detailed discussion is given in the −9 size (cf. II.) we have χD/χe 10 . The line χD = 1 supplement. Furthermore, the interparticle distance of is shown in Fig. 2, and the area≈ of degenerate dust is the dust component cannot be smaller than the parti- max cle diameter which leads to a maximum density nmax, below this line and at densities below nD that is given D by Eq. (73), see below. Eq. (73). The resulting area of existence of dust parti- Another parameter that changes in a QDP is the sur- cles is shown in Fig. 2 by the orange shading. face potential φs, Eq. (64). In particular, one has to Thus, we conclude that, for a “quantum dusty plasma” use Fermi-Dirac statistics for the description of elec- to exist, the dust and electron components have to ful- trons, instead of Boltzmann statistics, with the result fill, the conditions II. and I., respectively, that were de- φ = Z e2/a E . It turns out (details are given in rived above. Finally, we have to require that both con- s − D D F e the supplementary material [95]) that φs is, indeed, on ditions are fulfilled simultaneously, i.e. that the presence the order of 1 even in the case of degenerate| | electrons. of quantum electrons does not destroy the dust particles

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 (condition III.). As it turns out, this is impossible, as we will show in detail in Sec VC. But before doing this, B. Predicted occurences of QDP we critically analyze the parameters of the three com- mon QDP candidates that have been suggested in the literature. Three examples that have been commonly used in the context of “quantum dusty plasmas” are white dwarf a. One of the motivations for studying “quantum stars, neutron stars, and micro- and nano-devices that dusty plasmas” is the observation of certain white are “contaminated” by dust particles. Before we will dwarf atmospheres that are “contaminated” by consider in detail the plasma parameters in these ob- dust particles [170]. As observations indicate, the jects which are also depicted in Fig. 2, we analyze the presence of metals within cool white dwarf atmo- requirements I.–III. that were formulated above. spheres is due to external sources (circumstellar To fulfill the requirement I. of quantum degenerate and interstellar). Dust particles can sustain in the electrons it is necessary that the plasma is below (to the photosphere of white dwarfs through radiative lev- right of) the lines χe = 1, θe = 1 in Fig. 2. However, itation if Teff > 20, 000 K(30, 000 K), for hydro- This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 16

gen (helium) atmospheres [171], where the effec- tions [177–180], with heavy particle temperatures tive temperature Teff is determined by Stefan’s law 10 K, ions and electrons remain too hot for man- [172]. At lower temperatures, white dwarfs develop ifestation∼ of quantum effects [181, 182]. The dust convection zones which enhance the gravitational particles that form inside a gas discharge plasma settling of the heavy elements. One of the explana- eventually fall down on the surface of a plate (which tions of the atmospheric pollutions is the accretion is usually metallic in industrial plasma reactors) from a dusty disk which is created by the destruc- [183, 184]; thereby “contaminating” the micro- or tion of a minor body within the tidal radius of the nano-device. star [170, 173]. The authors of Ref. [94] suggested that further cool- It is important, however, to recall that the plasma ing of a dusty plasma will give rise to a “quantum parameters of the atmosphere and the interior of dusty plasma” where even the dust particles behave white dwarfs are strikingly different. The atmo- quantum mechanically. We will show in Sec. VC sphere of a cool white dwarf is a dense gas or liq- that this is impossible. Reference [94] is discussed uid at 103 104 K containing non-degenerate in more detail in the supplement. ∼ − classical electrons with a number density ne . 1019 cm−3 [174] (with the atmosphere mass den- d. Some authors suggested that quantum dusty plas- sity ρ . 3 g/cm3). In contrast, the white dwarf mas can exist in “metallic devices”. At first sight interior contains degenerate dense electrons with this is reasonable because there, indeed, the elec- 27 −3 trons typically behave as a quantum degenerate ne > 10 cm . This difference is due to the sep- aration of heavy elements (e.g. carbon and oxy- moderately correlated Fermi gas [4], see Fig. 1. In- gen) from light elements (e.g. hydrogen and he- deed, such predictions have been made in a number lium) by a strong gravitational field. In Fig. 2, we of references, e.g. [185, 186]. For example, the au- included the parameters of the white dwarf’s at- thors of Ref. [185] state “The present results should mosphere and interior. It is clearly seen that the be helpful for understanding the nonlinear electro- white dwarf’s atmosphere is outside of the quan- static structures in metallic nanostructures involv- tum regime, whereas the white dwarf’s interior is ing charged particles in nanomaterials.” However, in a quantum plasma state. Therefore, we exclude the electron gas resides inside an ionic lattice with a the white dwarf’s atmosphere from our analysis of spacing of a few angstroem, see Sec. IV A. It is im- quantum plasmas. On the other hand, the interior possible to “embed” a dust particle in this electron of white dwarfs appears to be way too hot and too gas without destroying or strongly modifying the dense for dust particles to survive, see Sec. VC. ionic lattice, see also the supplementary material. b. The atmosphere (outer envelope) of a From this discussion and Fig. 2 it is clear that a “quan- has an electron density in the range 1022 cm−3 . tum dusty plasma” cannot exist in the condensed matter 25 −3 phase (examples c. and d.) but, potentially, only in the ne . 10 cm (the mass density is ρ . 10 g/cm−3) and temperature, T & 105 K [15]. The gas phase. Now we proceed further and show that, also atmosphere of a cold neutron star has a thickness in the gas phase examples of compact stars (examples of about 1 cm and can be as thin as few millime- a. and b.), a dust particle is not able to survive in a ters when∼ the surface temperature is of the order quantum degenerate electron plasma. of 105 K. Even cooler neutron stars have a solid surface∼ without an atmosphere. Due to the high C. Impossibility of dust grain existence in a density, the atmosphere of a neutron star can be a quantum plasma degenerate or partially degenerate plasma. This is illustrated in Fig. 2. The parameters of the inte- There are several simple arguments which show that PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 rior of neutron stars are not relevant to the current analysis. It should be noted that no sign of dust a dust particle cannot exist in a quantum plasma. Here particles has been detected in the atmosphere of we concentrate on static arguments that are based on neutron stars. an analysis of the kinetic energy of degenerate electrons in a quantum plasma. While this is completely suffi- c. “Contaminated” micro- and nano-devices have cient to rule out the existence of quantum dusty plasmas been put forward as an example of quantum dusty there are also dynamic arguments that are related to ex- plasmas in the original paper by Ali and Shukla [94] tremely high particle and energy fluxes that would imme- in analogy to classical dusty plasmas. The plasma diately destroy any microparticle in a quantum plasma, in gas discharge experiments containing dust parti- this analysis can be found in the supplementary material. cles [124, 175, 176] is non-degenerate with electrons Let us analyze under what conditions a dust parti- having temperatures of a few electron volts and cle can form in a quantum plasma. The first necessary densities on the order of 1010cm−3, cf. Fig. 2. step is, obviously, that a neutral atom can form from the Ions and neutrals are, as a∼ rule, at room tempera- electron-ion plasma. Only after this has happened and ture. Even in the gas discharge at cryogenic condi- the density of atoms is sufficiently high, aggregation of This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 17

atoms into dimers and larger complexes and, eventually into a “dust particle”, can occur. For the formation of the seed neutral atom of type “A” it is necessary that the binding energy of the dust atoms (electron-ion binding energy) exceeds the kinetic energy of the electron to be captured by the seed ion,

(1) e ED (A) >Ekin . (66) Consider first a classical plasma in thermal equilibrium. (1) Then condition (66) amounts to requiring ED (A) > 3 2 kBTe. For the example of hydrogen, this temperature is of the order of 105K. The next step – the formation of a dimer (e.g. H2 molecule) – requires already a much lower threshold for the electron temperature on the or- der of 30, 000 K due to the lower molecule binding en- FIG. 3. Critical electron density calculated according to ergy. With increasing cluster size the binding energy Eqs. (69) and (70), vs. electronic degeneracy parameter. of the next atom converges to a value on the order of In a quantum plasma hydrogen, carbon, silicon and tungsten (NA) atoms can only exist below the respective lines (H: α = 1, C: ED (A) 1...5 eV, (where NA 100,) correspond- α = 0.83, Si: α = 0.6, W: α = 0.58). Dust particles have ing to T ∼11, 500...60, 000 K, for most≥ materials. This e ∼ binding energies not exceeding 5eV and exist only below the value for the electron temperature exceeds the melting line “5 eV”. For electrons in a hydrogen plasma to be quan- temperature of the dust particles, Tm . 5, 000 K which, tum degenerate the electron density has to be above the line therefore, sets the upper threshold for the existence of “H” and similar for other plasmas. For details see text. dust particles, in a classical dusty plasma, cf. Fig. 2. Let us now turn to a quantum plasma. In the extreme full expression for the kinetic energy of the Fermi gas case of strong electron degeneracy, Te = 0, the mean kinetic energy is given by the Fermi energy times 3/5, (β = 1/kBT and µ denotes the chemical potential) and condition (66) for bound state formation changes to I (βµ) (1) 3 3 3/2 E (A) > E . At finite temperature the expression Ekin(rs,θ)= kBT , (70) D 5 F e 2 I (βµ) can be corrected via a Sommerfeld expansion. Retaining 1/2 terms of lowest order in θe we obtain: has to be used. The maximum plasma density at which a seed atom 3 5π2 E(1)(A) > E 1+ θ2 , θ 0.1. (67) can form, Eq. (69), is plotted in Fig. 3 for three differ- D 5 F e 12 e e ≤   ent types of atoms: carbon, silicon and tungsten. As discussed above, for the stability of a dust particle con- For example, for a hydrogen atom, E(1)(H) E = D ≡ H sisting of e.g. NA = 100 atoms, in condition (67) we have 13.6 eV, and it is straightforward to compute the max- (1) (100) to replace ED (A) ED (A) . 5 eV, as we estimated imal density a hydrogen atom can withstand in a low- above. At the same→ time, we have to require that the elec- temperature quantum plasma (θe = 0). From Eq. (67) trons are quantum degenerate. As was discussed above, one readily finds the critical value of the Brueckner pa- ion cr quantum degeneracy of electrons is only possible if α rameter, rs (T = 0; H) 1.5 which corresponds to an is not vanishingly small. This can be expressed using electron density ncr(T =≈ 0; H) 5 1023 cm−3 which e ≃ × the above condition (67), but now applied for vanishing is in reasonable agreement with quantum Monte Carlo (1) of plasma atoms: the binding energy ED (P ) should be

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 results [187]. At finite temperature we obtain from Eq. (67), smaller than the electronic kinetic energy, 2 2 (1) 3 5π 2 cr 1.5 5π 2 ED (P ) < EF e 1+ θe θe 0.1. (71) rs (θe; A) 1/2 1+ θe , (68) 5 12 ≤ ≈ α (A)r 12   5 α3/2(A) Combining the results of Eqs. (67) and (71) we conclude ncr(θ ; A) 1023 cm−3, (69) e e 2 3/4 that a dust particle of size NA can only exist in a low- ≈ 5π 2 1+ 12 θe temperature quantum plasma if

(1)   (1) (NA) where α(A) = E (A)/EH is the ratio of the bind- D ED (P )

plasmas, condition (72) cannot be satisfied, i.e. solid par- a dust density of 1018cm−3 and a dust radius −5 ticles and quantum degenerate electrons cannot coexist aD 10 cm. One readily verifies that, at this which is a violation of condition III. of Sec. V A. For density,∼ the mean nearest neighbor distance of two illustration, in Fig. 3 we also show the critical densities dust particles is less than 10−6 cm, i.e., more than corresponding to hydrogen atoms and to dust particles an order of magnitude smaller than the dust ra- (using the estimate for the binding energy, ED = 5 eV). dius. This is clearly impossible without destroying From this analysis it is clear that, in a quantum plasma the dust particles and is outside the dust existence (at θe < 1), no dimers of neutral atoms C and Si, which area, cf. Fig. 2 and Eq. (73). are often considered to be building blocks of the dust par- ticles, can form. The same conclusion is also valid for W, iv. Following Ref. [94], in many works dust particles which has the highest melting point of all elements. The are treated as quantum degenerate fermions with the dust degeneracy parameter θ = k T /ED line (69) is also plotted in Fig. 2, for the example of hy- D B D F ≪ drogen and provides the approximate boundary between 1, e.g. [134–138, 142, 145–147, 152, 156, 160, 161, neutral and ionized hydrogen (labeled “50 % ionization”). 165], where TD is the characteristic temperature For completeness we mention that, for heavier elements corresponding to the chaotic motion of the dust with the nuclear charge Z, the binding energy of the first particles which is different from their surface tem- electron to the nucleus equals Z2 13.6 eV, giving rise perature Ts and from the Fermi energy (1) of the toa(Z 1)-fold charged ion. However,× with the capture dust component. − of each subsequent electron the binding energy rapidly To consider the most favorable condition for dust decreases until it reaches values on the order of the hy- quantum effects we assume again a very small dust 3 drogen binding energy, for the last electron. For example, particle size of NA = 10 atoms [cf. condition III. for the important case of carbon, the binding energy of in Sec. IV] and estimate the temperature needed 5+ the first electron (formation of the C -ion) is approxi- for an ensemble of dust particles to become quan- mately 490 eV whereas for the neutral atom it is 11.26 eV. tum degenerate. A carbon particle of this size has As discussed above, only after a neutral atom has been a radius aD 15 A˚ 30 aB, so the mean interpar- formed, eventually, particle growth can set in. ticle distance∼ between≈ two dust particles cannot be smaller than 60 aB. The maximum density such a gas of dust particles can reach is, obviously, D. Test of “quantum dusty plasma” parameters used in the literature max 3 18 −3 nD = 3 5 10 cm , (73) 4π(2aD) ∼ · In the following, we critically review the parameter values and assumptions that have been used in the QDP see Fig. 2. A degeneracy parameter χD = 1 is max literature, see Tab. I. reached below a temperature TD 0.0001 K. Thus, only below temperatures of one∼ hundred mi- i. Many papers, e.g. [134, 139, 160, 164, 188] consider crokelvin and dust densities below 5 1018 cm−3 high plasma temperatures, way above the stabil- quantum effects of extremely small∼ · dust parti- ity limits of any material as we demonstrated in cles can be reached if they are maximally densely Sec. VC. Some examples have been listed in ta- packed. For more realistic dust particles of bigger ble I. size and lower density, the degeneracy temperature will be even smaller. ii. Many papers consider very strongly degenerate electrons with θe 1, e.g. [94, 133–166]. As we For the often claimed applications in microelectron- have shown above,≪ in such plasmas dust particles ics, e.g. [94, 159] such low temperatures are highly cannot survive because the electron kinetic energy unrealistic. Also the close packing of dust particles PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 exceeds the binding energy of dust particles. with distances of 30 A˚ are not realistic. In micro- electronics contamination is typically due to a few On the other hand, some papers considered plas- dust particles. mas with θe 1, but this has nothing to do with a quantum plasma≫ no matter if dust particles are Moreover, the assumption that these “quantum present or not. For example, Ref. [188] considered dust” particles form a Fermi gas cannot be justi- 19 −3 an astrophysical plasma with ne 10 cm and fied as is shown in the supplement. 5 ∼ Te = 10 K which is way outside the quantum plasma range, cf. Fig. 2. v. In some papers, in addition to the assumption θe 1, the parameter µ = ( Zd nD) / ( Zi ni) iii. Often dust parameters are used that are clearly for≪ the negatively charged dust| particles| was| | as- incompatible with each other. For example, sumed to vary in the range from zero up to one Ref. [161] used the following (quoting) “typical [142, 144, 146, 147, 153, 155] (see the note [189]). parameters ... for the interiors of the neutron This assumption contradicts the condition θe 1 stars, the , and the white dwarfs ...”: used in these works. Indeed, µ 1 corresponds≪ to → This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 19

vanishing electron density and thus not to a quan- Many of these papers derive results for linear and non- tum plasma. linear oscillations and waves that are subsequently “ap- plied” or “extended” to plasmas in metals, semiconduc- As this discussion has shown, it does not require a compli- tors, white dwarf stars, neutron stars and so on. This cated analysis to realize that many of the above assump- “extension” is done by inserting the values of masses, tions are incorrect or inconsistent. In the supplementary dielectric constants, densities and temperatures, the au- material [95] we consider two particular publications on thors believe to be relevant for those systems. However, “quantum dusty plasmas” where the fundamental prob- such a simple rescaling of parameters in a fluid model lems of these papers can be clearly understood. was shown to miss, in many situations, essential prop- erties of quantum plasmas in real systems, in particular VI. QUO VADIS QHD FOR QUANTUM in condensed matter, cf. Secs. IV and supplementary PLASMAS? material. This does not mean that fluid models are not applicable in these areas, however they have to be derived from more accurate models of these fields. In contrast, The fictiteous nature of “quantum dusty plasmas” that the QHD-based quantum plasma approach avoids such has been demonstrated in Sec. V by very simple argu- a derivation and robust validity and consistency tests ments raises the question why so many scientific arti- against the modern literature in those fields. Instead, cles have been (and continue to be) published on this many of these papers contain bold and unproven claims subject. As we have shown, many papers even fail to of the significance of their results for the mentioned fields. choose proper parameters that assure that electrons are This is in striking contradiction to elementary scientific quantum degenerate and dust particles can exist at all standards. (requirements I. and II.). Moreover, the obvious require- ment that dust particles and quantum electrons have to co-exist (requirement III.) is ignored in all of these arti- We underline once more that this recent “scientific” cles. There is no room to analyze these papers here, to tradition in the field of QHD-based quantum plasmas is illustrate the problem we considered two typical exam- by no means caused by the quantum hydrodynamics ap- ples in the supplementary material [95]. We underline proach. The mentioned deficiencies have to be rejected, that the problems that are common to quantum dusty regardless of the method that is being used by the au- plasma papers are not related to the QHD approach, they thors. At the same time, apparantly, the relative simplic- are independent of the theoretical tools that are being ity of QHD, as compared to more advanced theoretical used. At the same time, it is interesting to observe that concepts used in quantum plasmas, cf. Sec. I, has con- all papers that are devoted to quantum dusty plasmas tributed to the illusion that this approach is sufficient to have been using QHD. describe these systems and that the results are univer- sally applicable to quantum plasmas in the laboratory and in the universe. A. Scientific standards have to be enforced again This has lead to a stream of hundreds of QHD pa- Aside from the QDP topic, there are serious more gen- pers, including close to one hundred papers on “quan- eral problems with many of the QHD-based quantum tum dusty plasmas”, that claim to make important con- plasma papers. As discussed in the introduction and il- tributions to condensed matter physics, astrophysics and lustrated on the examples in the supplement, in many microelectronics. The only justification (if any) for that papers plasma physics results are “extended” to other importance that is given is that previous QHD-quantum systems, in particular, semiconductors. For example, plasma papers used the same parameters. It is char- many QHD papers are devoted to nonlinear oscillations acteristic that these claims have not been published in and waves that are known to exist in electron-ion plas- condensed matter physics journals (and only very few PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 mas. A simple rescaling of system parameters then leads in astrophysics journals) where experts in those fields to the prediction of solitons in semiconductors, e.g. in would critically assess the validity and importance of the Ref. [190]. In fact, solitons and acoustic pulses have been results for their area. Instead, these results were typi- observed in semiconductor experiments, e.g. [191, 192], cally published in plasma physics journals, as reflected which seems to motivate a QHD based theoretical ap- by the reference list of the present article. So how could proach. However, an elementary analysis of the experi- it happen that so many papers on – obviously nonex- mental papers reveals that those solitons are caused by isting (QDP) – systems or grossly oversimplified models completely different physics: they are related to lattice found their way into highly respected journals? How to distortions [191, 192] and have nothing to do with plasma explain that plasma physics journals publish unproven effects that could, possibly, be captured by QHD. For claims that refer to areas of physics outside the scope of more details on this example see the supplementary ma- the journals? Clearly, plasma physics journals have to terial. critically re-assess their manuscript handling and to re- The example of Ref. [190] is not an exception but inforce their quality standards, as done for example in rather typical for QHD-based quantum plasma papers. Ref. [193]. This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 20

B. Requirements to QHD-based quantum plasma Thus, despite its relative formal simplicity, QHD has theory papers to be applied to quantum plasmas with great care. The current QHD models have to be regarded as unreliable Let us be clear: of course, linear and nonlinear os- with a-priori unknown accuracy. The agreement in the cillations and waves in charged particle systems are an case of weak external excitation (linear response) is quite interesting subject and deserve a thorough mathemati- limited, and there is no reason to expect that the accu- cal analysis, no matter whether the analysis is based on racy will be higher in the nonlinear regime. Therefore, QHD or any other approach. However, if there is no new effects or “discoveries” (we refer to Sec. I for ex- application of the mathematical results to real plasmas amples) made on the basis of current QHD models are then a mathematics journal could be the right address. certainly exciting, but they have a high risk of being not If, on the other hand, the focus is on the application a physical effect but rather a consequence of deficiencies to plasmas, semiconductors, metals, or compact stars, of the model. In such cases, a careful proof of the va- the applicability to these systems has to be convincingly lidity of the model for the chosen parameters is crucial. demonstrated. This, first of all, requires profound knowl- Moreover, comparisons to experiments or to more accu- edge of those areas. Moreover, it is the responsibility of rate and well tested theoretical methods, such as density the authors to demonstrate that their results are of rele- functional theory or quantum kinetic theory [77, 78, 88], vance (significant as compared to competing effects) and can provide strong support of the results. detectable in experiments or by observations. This ap- pears to be a triviality that is also part of the acceptance criteria of many journals, but it has been clearly ignored C. Towards an improved QHD for fermions in the context of hundreds of QHD-quantum plasma pa- pers over the past 15 years. As we have demonstrated in Sec. III F, QHD for plas- In the particular case of QHD-quantum plasma pa- mas can be rigorously derived from the many-particle pers another elementary requirement has been ignored Schr¨odinger equation, for pure states, or from reduced over and over: application of a any model should al- density operators, for general situations. The result are ways include basic tests of its validity and applicabil- microscopic QHD equations that essentially coincide with ity limits. As was pointed out in a number of papers, the basic equations of quantum kinetic theory or time- cf. e.g. Refs. [78, 83] and demonstrated in Sec. III, the dependent DFT. This connection allows one to track all currently used QHD models have severe limitations con- the simplifications made on the road to the final QHD cerning the spin statistics effects (Pauli blocking), the equations and, at the same time, to remove some of the accessible coupling strength rs, and the spatial and tem- simplifications to improve the model. The starting point poral resolution. In addition, most papers directly follow has to be an as accurate as possible description of the the original model of Ref. [75] and neglect finite temper- ideal (or weakly nonideal) Fermi gas. Here interactions ature effects or the dependence of the Bohm potential are treated on the Hartree level (corresponding to the and the pressure on frequency and wave number of the Poisson equation for the induced potential), and quan- excitation [83] and on the dimensionality of the plasma tum kinetic theory within the random phase approxi- [194], cf. Sec. III. This appears to be not critical for mation provides a rigorous benchmark for the pressure the special case of nearly ideal 1D plasmas and frequen- and Bohm term in the QHD [83]. In Sec. III F we have cies in the range of (or above) the electron plasma fre- listed a number of possible improvements to the QHD quency and where fluid models (although often different for fermions which will not be repeated here. Instead, we ones compared to the one of Ref. [75]) are successfully provide a few further considerations. being applied to metallic systems and nanoplasmonics, If the limiting case of a weakly nonideal Fermi gas is e.g. [33, 72, 73, 113]. correctly built into the QHD-model, one can move on At the same time, the model of Ref. [75] continues to to quantum plasmas with stronger interactions. A first, PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 be uncritically applied to quantum plasmas of different phenomenological, way is to add new terms to the equa- dimensionality or frequencies, beyond the validity limits tions – such as an exchange-correlation potential Vxc, of the model. In particular, for low-frequency excitations borrowed from DFT in the local density approximation the Bohm potential of Ref. [75] turns out to be an order [77]) that has been used in a number of subsequent pa- of magnitude too big [81, 88]. As a consequence, until pers, e.g. in Ref. [141]. This procedure is formally justi- recently, all QHD papers that were devoted to acous- fied since Vxc does not depend on the individual orbital tic oscillations and statically screened ion potentials that wave functions, cf. Sec. III E 2. However, the correspond- used the model of Ref. [75] produced wrong results. This ing correction terms will also carry a frequency and wave concerns the results for ion-acoustic modes in quantum number dependence (as we found for the Fermi pressure plasmas, solitons, magneto-acoustic modes and so on. A and Bohm potential) that is currently unknown. There- particularly striking example of unphysical results was fore, there is no guarantee that the resulting model is the prediction of an attractive ion potential in an equi- generally more accurate than without these terms. Here librium quantum plasma [86] – an effect that immediately again tests against DFT simulations, or against quantum vanishes if the correct Bohm potential is being used [88]. kinetic theory beyond RPA, are needed. This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 21

A second strategy towards improved QHD models is by the field, for an overview, see Ref. [205] and refer- the combination with input from other independent ap- ences therein. Here, spin-QHD may, eventually, be an proaches. For example, DFT can provide the microscopic effective approach. wave functions φi (the Kohn-Sham orbitals) which would In any case, best progress will be made if the QHD allow to perform the orbital averaging directly, at least results can be tested against independent analytical or for some model cases. Similarly, for a mixed state the simulation methods. Here one can also use results from orbital occupations fi can be computed ab initio from semiclassical molecular dynamics [206] or Bohmian tra- quantum Monte Carlo simulations, e.g. [57, 195]. Also, jectory simulations [cf. Sec. III B] that are conceptionally the case of very strong coupling where the electrons ex- close to QHD. This will reliably map out the applicability hibit liquid or even Wigner crystal behavior can be ap- range of QHD together with existing problems. proached by using the experience from quantum Monte Carlo simulations, e.g. [36, 196] which yields benchmark data for thermodynamic quantities (e.g. energy, equa- D. Current topics in quantum plasma theory tion of state), the density distribution and pair correla- tions. Another useful test is to consider an electron gas in As discussed in the introduction, quantum plasmas is a a harmonic confinement potential and compute its nor- rapidly developing field, both, for astrophysical applica- mal modes which replace the plasma oscillations in an tions and for modern laboratory experiments, cf. Fig. 1. infinite system. A good candidate to test the model is The frontier areas and key topics in dense plasma re- the monopole oscillation (breathing mode) the frequency search have been reviewed in various recent reports, e.g. of which, in a quantum system, depends on the inter- [207, 208] and text books [1]. These are a useful start- action strength [197], on the spin statistics and on the ing point to map out future research directions. Open dimensionality [198–200]. Moreover, in addition to the questions of current interest include the thermodynamic monopole mode that is due to the pair interaction be- properties and equation of state of dense quantum plas- tween particles and that exists in classical systems as mas, transport and optical properties (e.g. electrical well, a quantum system supports a second purely quan- and heat conductivity, optical absorption and reflectiv- tum monopole mode that arises from the quantum kinetic ity, Thomson scattering signal). Also, the properties of energy (Bohm potential) [198, 201]. partially ionized plasmas such as the degree of ioniza- A third strategy is to resort to quantum kinetic theory. tion and the ionization potential depression are of im- As we have shown in Sec. III, QHD follows directly from portance. These questions are summarized in table II the random phase (or quantum Vlasov) approximation, together with the theoretical approaches that are being correlation corrections to QHD can be taken by starting applied or are promising candidates to tackle them. Also, from kinetic equations with collision integrals included. the time evolution of dense quantum plasmas following Possible approximations were outlined in Ref. [83] and an external excitation is becoming of increasing interest. include collision integrals in relaxation-time approxima- This includes the thermalization of the electron distribu- tion [202] or dielectric approximations involving static tion function as well as the temperature equilibration in local field corrections. Finally, we note valuable alter- electron-ion plasmas [209–211]. native attempts to derive an improved quantum kinetic Without doubt, the QHD approach can play an im- theory that may, possibly, allow for a better description portant role in modern quantum plasma research. An of quantum plasmas, e.g. [203] and references therein, example is the application to plasmonics in metallic sys- and to improve QHD [204]. Yet it is mandatory to put tems and nanostructures, where QHD has been success- these developments in the perspective of the existing ex- fully tested against DFT and applied to experiments, for tensive theoretical and numerical literature on quantum an overview see Ref. [113]. On the other hand, we are not kinetic equations, e.g. [32, 38, 39] and recover important aware of recent applications of QHD to semiconductors known limits. This also concerns the developments in that have been noticed and regarded as important contri- PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 “spin-QHD” that have, in part, led to unphysical pre- butions by researchers in that field — in striking contrast dictions and interpretations (such as “spinning quantum to the often high number of citations these papers receive plasma”), that were criticized in Ref. [85]. While coher- within the QHD-based quantum plasma community. ent spin dynamics in realistic dense laboratory plasmas At the same time, QHD can contribute to the ques- are highly unlikely due to dissipation and dephasing, such tion of plasma oscillations and collective modes in quan- effects are known to occur in Bose gases and fluids as tum plasmas. These topics, including nonlinear plasmon well as in certain condensed matter systems. There ex- damping [64] and negative plasmon dispersion [114], are ist well established theoretical approaches that success- of high current interest in warm dense matter research, fully describe current experiments, e.g. in spintronics in particular as a possible experimental diagnostic for or skyrmion physics [92, 93] and refeences therein that the plasma density, degree of ionization and temperature should be used as benchmarks. The situation may be in Thomson scattering with X-rays at free electron laser different in dense astrophysical plasmas with ultrastrong facilities [24]. magnetic fields such as in neutron stars or magnetars However, to make successful contributions that will be where spin equilibration may be (partially) suppressed noticed outside the QHD community, in all these cases, This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 22

Theory Quantity, topic Reference System nations. This has led to a tremendous experience in non- BO-DFT el. conductivity [62, 63] WDM, SC linear oscillations and wave phenomena that still waits opt. absorption [64, 212] WDM, SC to be applied to relevant dense plasma problems. QHD- Thermodynamics [62] WDM, SC based plasma physicists should be more ambitious and Thomson scattering [63] WDM try to explain real experiments and to predict new phe- Plasmon damping [64] WDM nomena in real quantum plasmas. There is an immense LRT plasmon spectrum [4] UEG, M body of questions, in particular in astrophysics and warm QKT thermalization [39] WDM, SC plasmon spectrum [213] UEG, SC, M dense matter where the QHD experience can make a dif- el. conductivity [38] WDM, SC, M ference. opt. absorption [32, 214] WDM, SC, M QMC Thermodynamics [54, 108] WDM, M Plasmon spectrum [114] WDM, M VII. CONCLUSIONS QMD Thermodynamics [215, 216] WDM Transport [59, 216] WDM TD-DFT Thomson scattering [65] WDM, M We have presented a critical assessment of recent ac- QHD Plasmon dispersion [75, 76] Ideal Plasma tivities in QHD-based quantum plasma theory. The re- [34, 205] M, NP, USMF lated papers are mostly devoted to linear and nonlinear nonlinear plasmons [34] M, NP oscillations and waves. While the mathematical analy- solitons ? sis appears to be formally correct, the “application” of many of the results to quantum plasmas in astrophysical TABLE II. Theoretical and simulation approaches applied to objects or condensed matter systems was shown to often quantum plasmas including examples of relevant references. miss any convincing arguments about the relevance to BO-DFT: Born-Oppenheimer DFT (DFT-MD). LRT: quan- these systems. tum linear response theory, QKT: Quantum Kinetic Theory and Nonequilibium Green Functions, QHD: Quantum Hydro- We considered in some detail a particular example – dynamics, QMD: quantum molecular dynamics, TD-DFT: “quantum dusty plasmas” – and showed that the recent time-dependent DFT, UEG: uniform electron gas, WDM: high activity in this area rests on unjustified assumptions warm dense matter, SC: semiconductors, M: metals, NP: and unrealistic plasma parameter combinations. That re- metallic nanoparticles. In the bottom part we list QHD appli- search is typically motivated by unrealistic examples in- cations to ideal plasmas, metallic systems and astrophysical cluding neutron stars, white dwarf stars or microelectron- plasmas with ultrastrong magnetic fields (USMF). The rele- ics devices. It was demonstrated that dust particles can- vance of nonlinear QHD results to realistic quantum plasmas not survive or form neither in a dense quantum plasma in remains to be demonstrated. general, nor in the mentioned example systems, in par- ticular. The reason is that quantum electrons produce a pressure that is so high that it unavoidably destroys any it is crucial to seek the contact with experimental groups micrometer and even nanometer size particle. Therefore, in dense plasmas and warm dense matter, in order to dust particles are restricted to the regime of classical plas- understand all details of the specific system, of its pa- mas with temperatures below the grain melting temper- rameters and of the experiment. Then chances are good ature. It is obvious that, under these circumstances, the that a meaningful experiment-theory comparison can be discussion of quantum degeneracy and Fermi statistics performed which will be valuable for both sides. On the of the dust particles themselves [94] is meaningless and other hand, QHD-based simulations should be compared detached from reality, cf. Fig. 2. It is certainly of inter- to alternative theoretical approaches to quantum plas- est to analyze what happens to classical dusty plasmas mas in order to verify the accuracy of the former and to when they are cooled to low temperatures. But, as we firmly establish its place in the broad area of quantum have shown, this will not produce quantum degenerate plasma physics. electrons, and thus, this will not be a “quantum dusty PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 Such a closer integration into the rapidly developing plasma”. broad fields of quantum plasma physics and astrophysics Certainly, “quantum dusty plasmas” are an extreme provides the unique chance for QHD to systematically case of unwarranted claims made in QHD-based plasma verify and improve the method. On the other hand, it is physics publications. However, similar unjustified state- well possible that QHD can provide a more efficient ap- ments about the importance of certain formal mathemat- proach to some complex quantum plasma problems than ical results for other fields including condensed matter ab initio methods. This will certainly be welcomed by physics and astrophysics are frequently encountered in the community once the method, eventually, has demon- the QHD-based plasma physics literature. As we dis- strated its reliability and predictive power. cussed in this article, this transfer of results to other In the past years a large part of QHD-based plasma fields is often based on oversimplified models that miss theoy papers concentrated on developing solution meth- current developments and, thus, have no chance to make ods for the nonlinear QHD equations, and on incremen- a (positive) impact on those fields. We have made sugges- tal extensions of the model via the addition of new terms tions how to overcome this unsatisfactory situation–the and exploration of new conditions and parameter combi- key being, to actively seek the contact with these fields. This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 23

Our analysis of the above problems revealed that they ticular, we derive the linearized versions and discuss the have nothing to do with the QHD approach. In particu- plasmon dispersion. lar, there is no basis to conclude that QHD is not suitable for modeling quantum plasmas. In contrast, once its lim- itations and area of applicability are reliably established, A. Microscopic QHD equations QHD can turn into a powerful tool that is complementary to current ab initio approaches. Similar as in classical Recall the microscopic QHD equations (42, 43, 44), plasmas, a fluid description can be much more efficient than a kinetic approach. At the same time, the applica- ∂ni + (vini) = 0, (A1) bility range of the former are being carefully established ∂t ∇ ∂p by comparisons with the latter, e.g. [68], or with molec- i + v divp = (U H + Q + V xc) , (A2) ular dynamics, e.g. [217, 218]. ∂t i i −∇ i A similarly successful fluid theory for fermions, and U H(r,t)= dr w(r r )[g n(r ,t) n ], (A3) electrons in quantum plasmas, in particular, is still miss- 2 − 2 s 2 − 0 Z ing. QHD for fermions is well capable to make important 2 2 ~ ni(r,t) contributions here. Here we have re-analyzed the ap- Qi(r,t)= ∇ . (A4) proach of Manfredi and Haas [75] and Manfredi [76] and −2m pni(r,t) pointed out its limitations. Using density operator theory ∞ Here n(r,t)= f pφ (r,t) 2, and g = 2s + 1. The and the occupation number representation, we re-derived i=1 i i s exchange-correlation potential·| V|xc takes into account ex- the microscopic QHD equations and showed that they change and correlationP effects, if the MQHD equations are directly related to time-dependent DFT and quan- are derived from time-dependent density functional the- tum kinetic theory. Presenting a systematic averaging ory. If, on the other hand, the starting point is a quan- procedure of the MQHD equations, we discussed how to tum kinetic equation, V xc would be replaced by a col- derive the QHD equations for fermions. We are confident lision integral I that is different for each orbital, cf. that this will allow for additional improvements of QHD i Eq. (21) of the main text. Assuming a nearly ideal and important new contributions to quantum plasmas in (V xc 0, but U H = 0) Fermi gas at T = 0, the sta- the near future. → 6 bility condition is given by ∂tni0 = ∂tpi0 = 0, further v divp = (U H + Q ), and, in the absence of ex- i0 i0 −∇ 0 i0 ternal fields, there is no mean velocity, vi0 = 0. SUPPLEMENTARY MATERIAL Now we investigate the response of the system ext to a weak monochromatic perturbation, V1 (r,t) = ˜ ext −iωtˆ +iqr This supplement contains additional information on 1.) V1 e , whereω ˆ = ω + iǫ, ǫ > 0. This gives the stability of dust particles in a quantum degenerate rise to weak perturbations, ni1 ni0 and so on, plasma and 2.) a brief discussion of representative ex- | | ≪ n n + n , amples of QHD articles with applications to “quantum i0 → i0 i1 dusty plasmas” and to semiconductors. v v + v , i0 → i0 i1 U H U H + U H , 0 → 0 1 Qi0 Qi0 + Qi1 , ACKNOWLEDGMENTS → eff ext H and we introduce an effective potential U1 = V1 +U1 . We thank N. Bastykova (Almaty) for providing data Linearization of the microscopic QHD equations yields on the dust particles’ life time in plasmas and H. K¨ahlert the following first order equations for useful discussions on hydrodynamic equations. Zh. ∂ni1

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 + (v n )+ (v n ) = 0, (A5) Moldabekov acknowledges funding from the German ∂t ∇ i0 i1 ∇ i1 i0 Academic Exchange Service (DAAD). This work has ∂pi1 been supported by the Deutsche Forschungsgemeinschaft + vi0divpi1 + vi1divpi0 (A6) ∂t via grant BO1366/13 and the Ministry of Education and = (U eff + Q ) , Science of the Republic of Kazakhstan via the grant −∇ 1 i1 ~2 BR05236730 “Investigation of fundamental problems of 1 2 Qi1(r,t) ni1(r,t) . (A7) Phys. Plasmas and plasma-like media” (2019). ≈−2m 2ni0(r)∇ Introducing the Fourier-Laplace transform of all first or- der quantities which we denote by “tilde”, we obtain APPENDIX: LINEARIZATION OF THE QHD EQUATIONS n˜i1 qv˜i1 = (ˆω qvi0) , (A8) ni0 − ~2 4 In this appendix we present a few details on the mi- mn˜i1 2 ˜ eff q n˜i1 (ˆω qvi0) = U1 + . (A9) croscopic QHD and standard QHD for fermions. In par- ni0 − 4mni0 This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 24

Solving forn ˜i1 and averaging with the occupation num- Eqs. (50, 51, 52) bers f , we obtain the perturbation of the mean density i ∂n 1 1 + (p n)= δp δn , (B1) ∂t m∇ · −m∇ i i 1 ∞ n˜ (q, ωˆ)= f n˜ (q, ωˆ) (A10) ∂p 1 H xc 1 N i i1 + p divp = U + Q + V (B2) i=1 ∂t m · −∇ X eff R 1  = U˜ (q, ωˆ)Π˜ (q, ωˆ) ∂ P 1 1 −n β αβ 1 ∞ f ˜ R q i Π1 ( , ωˆ)= 2 ~2q4 . (A11) and N (ˆω qv ) 2 i=1 − i0 − 4m 1 1 1 X ∂ P = P + ∂ σ γ = α, (B3) n β αβ n∇ F n γ αγ 6 The result (A11) is nothing but the longitudinal polar- ~2 2√n ization function in random phase approximation (RPA), Q = ∇ + Q∆ , (B4) e.g. [39]. It is related to the retarded dielectric function −2m √n q q ˜ R q q 2 2 ~2 2 via ǫ( , ωˆ) = 1 w˜( )Π1 ( , ωˆ), wherew ˜( ) = 4πe /q , ∆ 2 δAi and the dispersion− of collective excitations follows from Q δAi δAi + O , (B5) ≈ 2mn ·∇ A ! Re ǫ = 0 (for weak damping). For example, for T = 0,   the optical plasmon dispersion is found to be where summation over repeated Greek indices is implied. Here the mean pressure tensor P αβ is created by the mo- 1 1 3 ~2 mentum fluctuations, δpiα∂βδpiβ = ∂βP αβ. In the ω2(q)= ω2 + v2 q2 + (1 δ ) q4, (A12) m n pl D + 2 F − 2,D 4m2 following, again an ideal Fermi gas at T = 0 is con- sidered where the shear stress and exchange correlation corrections vanish σ 0, V xc 0, whereas the rela- for a system of dimensionality D = 1, 2, 3, and the Kro- αγ → → necker symbol indicates that, in 2D, the term q4 van- tion between kinetic energy fluctuations (diagonal part ishes [194]. ∼ of the tensor) and pressure in a D-dimensional Fermi gas is given by In Eq. (A12) the Fermi velocity is always defined by E = m v2 , where the Fermi energy depends on the di- 1 1 m 1 id F 2 F δp divδp = δE = v2 = P . mensionality, particle spin and spin polarization: m i i D ∇ kin 2(D + 2)∇ F 2n∇ Similarly as in the previous case, the stability condi- ~ 2 1D (2π ) ∗2 tion of an ideal Fermi gas without external fields at T = 0 EF = n1D , 2m H id becomes, ∂tn0 = ∂tp0 = 0, v0 = 0 and U0 = P 0 /n0. 2π~2 − ext E2D = n∗ , Turning again on a weak monochromatic potential V1 F m 2D (which is assumed to vanish rapidly) the average quanti- 2 ~ 2/3 ties are weakly perturbed, E3D = 6π2n∗ , F 2m 3D n n + n ,  0 → 0 1 ∗ v0 v0 + v1 , where nD nD/gs is the D-dimensional particle density → per spin projection≡ (g = 2s + 1) of fermions with spin s U H U H + U H , s 0 → 0 1 and has the dimension of particle number per LD with L ~2 2 ~2 √n0 2 being the system length. These expressions correspond Q0 Q0 + Q1 ∇ + √n1 , → ≈−2m √n 4m∇ to the paramagnetic case where all spin projections oc- 0 id id id 2 2 n1 cur with the same probability. Otherwise, gs has to be P 0 P 0 + P 1 n0EF (n0)+ EF (n0) , PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 → ≈ D + 2 D n modified, for example, in the ferromagnetic limit gs = 1. 0 Note that in the analysis above we considered, for all di- and the linearized equations for the perturbations of the mensions, the case of a 3D Coulomb potentialw ˜. For the average quantities obtain the form case of a strictly 2D or 1D potential [39, 219, 220] the ∂n plasmon dispersion would be different (acoustic). 1 + v n = 0, (B6) ∂t ∇ 1 0 ~2 ∂p1 H 2 2 n1 = U1 + √n1 EF (n0) . ∂t −∇ 4m∇ − n0D ∇n0 B. (Macroscopic) QHD equations   After Fourier transformation the two equations become

Let us now compare the result for the microscopic 1 n˜1 p˜1 q = ω, QHD equations to the equations of Manfredi et al. [75] m · n0 ~2 q that we obtained in the main text by averaging the ˜ H 2 2 n˜1 iωp˜1 = iqU1 iq q i EF (n0) . microscopic equations over the orbital occupations, cf. − − − 4m − n0 D n0 This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 25

Multiplying the second equation by q and using the result which agrees with the microscopic QHD result (A12) in of the first, we obtain for the plasmon dispersion 1D, but exhibits an incorrect coefficient of the q2 term in 3D and the incorrect coefficients of the q2 and q4 terms in 2D, see above. Note that we again used a 3D 1 ~2 Coulomb potential in all cases, as for the microscopic ω2(q)= ω2 + v2 q2 + q4, (B7) QHD, Eq. (A12). pl D F 4m2

[1] F. Graziani, M. P. Desjarlais, R. Redmer, and S. B. York: Springer, 2006). Trickey, Frontiers and Challenges in Warm Dense Mat- [16] J. Daligault and S. Gupta, “Electron-Ion Scattering in ter (Springer, 2014). Dense Multi-Component Plasmas: Application to the [2] V. E. Fortov, Extreme States of Matter (High Energy Outer Crust of an Accreting Neutron Star,” Astro- Density Physics, Second Edition) (Springer, Heidelberg, phys. J. 703, 994 (2009). 2016). [17] E. I. Moses, R. N. Boyd, B. A. Remington, C. J. Keane, [3] Zh. A. Moldabekov, S. Groth, T. Dornheim, H. K¨ahlert, and R. Al-Ayat, “The National Ignition Facility: Ush- M. Bonitz, and T. S. Ramazanov, “Structural charac- ering in a new age for high energy density science,” teristics of strongly coupled ions in a dense quantum Phys. Plasmas 16, 041006 (2009). plasma,” Phys. Rev. E 98, 023207 (2018). [18] O. A. Hurricane, D. A. Callahan, D. T. Casey, E. L. [4] Tobias Dornheim, Simon Groth, and Michael Bonitz, Dewald, T. R. Dittrich, T. D¨oppner, S. Haan, D. E. “The uniform electron gas at warm dense matter con- Hinkel, L. F. Berzak Hopkins, O. Jones, A. L. Kritcher, ditions,” Phys. Rep. 744, 1 – 86 (2018). S. Le Pape, T. Ma, A. G. MacPhee, J. L. Milovich, [5] A. Hausoel, M. Karolak, E. Sasoglu, A. Lichtenstein, J. Moody, A. Pak, H.-S. Park, P. K. Patel, J. E. K. Held, A. Katanin, A. Toschi, and G. Sangiovanni, Ralph, H. F. Robey, J. S. Ross, J. D. Salmonson, “Local magnetic moments in iron and nickel at ambient B. K. Spears, P. T. Springer, R. Tommasini, F. Albert, and earth’s core conditions,” Nat. Communications 8, L. R. Benedetti, R. Bionta, E. Bond, D. K. Bradley, 16062 (2017). J. Caggiano, P. M. Celliers, C. Cerjan, J. A. Church, [6] M. Schlanges, M. Bonitz, and A. Tschttschjan, “Plasma R. Dylla-Spears, D. Edgell, M. J. Edwards, D. Fit- phase transition in fluid hydrogen-helium mixtures,” tinghoff, M. A. Barrios Garcia, A. Hamza, R. Hatarik, Contributions to Plasma Physics 35, 109–125 (1995). H. Herrmann, M. Hohenberger, D. Hoover, J. L. [7] V. Bezkrovniy, V. S. Filinov, D. Kremp, M. Bonitz, Kline, G. Kyrala, B. Kozioziemski, G. Grim, J. E. M. Schlanges, W. D. Kraeft, P. R. Levashov, and V. E. Field, J. Frenje, N. Izumi, M. Gatu Johnson, S. F. Fortov, “Monte Carlo results for the hydrogen Hugo- Khan, J. Knauer, T. Kohut, O. Landen, F. Merrill, niot,” Phys. Rev. E 70, 057401 (2004). P. Michel, A. Moore, S. R. Nagel, A. Nikroo, T. Parham, [8] J. Vorberger, I. Tamblyn, B. Militzer, and S. A. Bonev, R. R. Rygg, D. Sayre, M. Schneider, D. Shaughnessy, “Hydrogen-helium mixtures in the interiors of giant D. Strozzi, R. P. J. Town, D. Turnbull, P. Volegov, planets,” Phys. Rev. B 75, 024206 (2007). A. Wan, K. Widmann, C. Wilde, and C. Yeamans, [9] B. Militzer, W. B. Hubbard, J. Vorberger, I. Tamblyn, “Inertially confined fusion plasmas dominated by alpha- and S. A. Bonev, “A Massive Core in Jupiter Predicted particle self-heating,” Nat. Phys. 12, 800–806 (2016). from First-Principles Simulations,” Astrophys. J. Lett. [19] M. Keith Matzen, M. A. Sweeney, R. G. Adams, J. R. 688, L45 (2008). Asay, J. E. Bailey, G. R. Bennett, D. E. Bliss, D. D. [10] Ronald Redmer, Thomas R. Mattsson, Nadine Nettel- Bloomquist, T. A. Brunner, R. B. Campbell, G. A. mann, and Martin French, “The phase diagram of water Chandler, C. A. Coverdale, M. E. Cuneo, J.-P. Davis, and the magnetic fields of uranus and neptune,” Icarus C. Deeney, M. P. Desjarlais, G. L. Donovan, C. J. 211, 798 – 803 (2011). Garasi, T. A. Haill, C. A. Hall, D. L. Hanson, M. J. [11] Nadine Nettelmann, Robert P¨ustow, and Ronald Red- Hurst, B. Jones, M. D. Knudson, R. J. Leeper, R. W. mer, “Saturn layered structure and homogeneous evolu- Lemke, M. G. Mazarakis, D. H. McDaniel, T. A. PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 tion models with different EOSs,” Icarus 225, 548–557 Mehlhorn, T. J. Nash, C. L. Olson, J. L. Porter, P. K. (2013). Rambo, S. E. Rosenthal, G. A. Rochau, L. E. Ruggles, [12] D. Saumon, W. B. Hubbard, G. Chabrier, and H. M. C. L. Ruiz, T. W. L. Sanford, J. F. Seamen, D. B. Sinars, van Horn, “The role of the molecular-metallic transition S. A. Slutz, I. C. Smith, K. W. Struve, W. A. Stygar, of hydrogen in the evolution of Jupiter, Saturn, and R. A. Vesey, E. A. Weinbrecht, D. F. Wenger, and E. P. brown dwarfs,” Astrophys. J. 391, 827–831 (1992). Yu, “Pulsed-power-driven high energy density phys. and [13] Gilles Chabrier, “Quantum effects in dense Coulumbic inertial confinement fusion research,” Phys. Plasmas 12, matter - Application to the cooling of white dwarfs,” 055503 (2005). Astrophys. J. 414, 695 (1993). [20] M. D. Knudson, M. P. Desjarlais, A. Becker, R. W. [14] G. Chabrier, P. Brassard, G. Fontaine, and D. Saumon, Lemke, K. R. Cochrane, M. E. Savage, D. E. Bliss, “Cooling Sequences and Color-Magnitude Diagrams for T. R. Mattsson, and R. Redmer, “Direct observation of Cool White Dwarfs with Hydrogen Atmospheres,” As- an abrupt insulator-to-metal transition in dense liquid trophys. J. 543, 216 (2000). deuterium,” Science 348, 1455–1460 (2015). [15] P. Haensel, A. Y. Potekhin, and D.G. Yakovlev, Neu- [21] J. Ren, C. Maurer, P. Katrik, P.M. Lang, A.A. Gol- tron Stars 1: Equation of State and Structure (New ubev, V. Mintsev, Y. Zhao, and D.H.H. Hoffmann, This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 26

“Accelerator-driven high-energy-density physics: Status 7132 (2015). and chances,” Contributions to Plasma Physics 58, 82– [34] Giovanni Manfredi, “Preface to special topic: Plasmon- 92 (2018). ics and solid state plasmas,” Physics of Plasmas 25, [22] R. Nora, W. Theobald, R. Betti, F.J. Marshall, D.T. 031701 (2018), https://doi.org/10.1063/1.5026653. Michel, W. Seka, B. Yaakobi, M. Lafon, C. Stoeckl, [35] Carlo Pierleoni, Markus Holzmann, and David M. J. Delettrez, A.A. Solodov, A. Casner, C. Reverdin, Ceperley, “Local structure in dense hydrogen at the X. Ribeyre, A. Vallet, J. Peebles, F.N. Beg, and liquid-liquid phase transition by coupled electron-ion M.S. Wei, “Gigabar Spherical Shock Generation on the monte carlo,” Contributions to Plasma Physics 58, 99– OMEGA Laser,” Phys. Rev. Lett. 114, 045001 (2015). 106 (2018). [23] P. Sperling, E.J. Gamboa, H.J. Lee, H.K. Chung, [36] M. Bonitz, V. S. Filinov, V. E. Fortov, P. R. Levashov, E. Galtier, Y. Omarbakiyeva, H. Reinholz, G. R¨opke, and H. Fehske, “Crystallization in Two-Component U. Zastrau, J. Hastings, L.B. Fletcher, and S.H. Coulomb Systems,” Phys. Rev. Lett. 95, 235006 (2005). Glenzer, “Free-Electron X-Ray Laser Measurements of [37] M. Bonitz, V. S. Filinov, V. E. Fortov, P. R. Levashov, Collisional-Damped Plasmons in Isochorically Heated and H. Fehske, “Hole crystallization in semiconductors,” Warm Dense Matter,” Phys. Rev. Lett. 115, 115001 J. Phys. A: Math. Gen. 39, 4717 (2006). (2015). [38] D. Kremp, M. Schlanges, and W.-D. Kraeft, Quan- [24] S. H. Glenzer, L. B. Fletcher, E. Galtier, B. Nagler, tum Statistics of Nonideal Plasmas (Springer, Heidel- R. Alonso-Mori, B. Barbrel, S. B. Brown, D. A. Chap- berg, 2005). man, Z. Chen, C. B. Curry, F. Fiuza, E. Gamboa, [39] M. Bonitz, Quantum Kinetic Theory, 2nd ed., Teubner- M. Gauthier, D. O. Gericke, A. Gleason, S. Goede, Texte zur Physik (Springer, 2016). E. Granados, P. Heimann, J. Kim, D. Kraus, M. J. [40] David Bohm and David Pines, “A Collective Descrip- MacDonald, A. J. Mackinnon, R. Mishra, A. Ravasio, tion of Electron Interactions: III. Coulomb Interactions C. Roedel, P. Sperling, W. Schumaker, Y. Y. Tsui, in a Degenerate Electron Gas,” Phys. Rev. 92, 609–625 J. Vorberger, U Zastrau, A. Fry, W. E. White, J. B. (1953). Hasting, and H. J. Lee, “Matter under extreme condi- [41] D. Pines, “A Collective Description of Electron Interac- tions experiments at the Linac Coherent Light Source,” tions: IV. Electron Interaction in Metals,” Phys. Rev. J. Phys. B 49, 092001 (2016). 92, 626 (1953). [25] U. Zastrau, P. Sperling, M. Harmand, A. Becker, [42] Yu. L. Klimontovich and V. P. Silin, Dokl. Akad. Nauk T. Bornath, R. Bredow, S. Dziarzhytski, T. Fennel, L.B. 82, 361 (1952), [Sov. Physics Doklady]. Fletcher, E. F¨orster, S. G¨ode, G. Gregori, V. Hilbert, [43] Yu. L. Klimontovich and V. P. Silin, ZhETF 23, 151 D. Hochhaus, B. Holst, T. Laarmann, H.J. Lee, T. Ma, (1952), [Sov. Physics JETP]. J.P. Mithen, R. Mitzner, C.D. Murphy, M. Nakat- [44] Yu.L. Klimontovich, Kinetic Theory of Nonideal Gases sutsumi, P. Neumayer, A. Przystawik, S. Roling, and Nonideal Plasmas (Pergamon, 1982). M. Schulz, B. Siemer, S. Skruszewicz, J. Tiggesb¨aumker, [45] M. Bonitz, “Kinetic theory for quantum plasmas,” AIP S. Toleikis, T. Tschentscher, T. White, M. W¨ostmann, Conference Proceedings 1421, 135–155 (2012). H. Zacharias, T. D¨oppner, S.H. Glenzer, and R. Red- [46] N.N. Bogolyubov, Problems of Dynamical Theory in mer, “Resolving Ultrafast Heating of Dense Cryogenic Statistical Physics (Gostekhisdat, 1946) (russ.). Hydrogen,” Phys. Rev. Lett. 112, 105002 (2014). [47] L.P. Kadanoff and G. Baym, Quantum Statistical Me- [26] Thomas Tschentscher, Christian Bressler, Jan Gr¨unert, chanics, 2nd ed. (Addison-Wesley Publ. Co. Inc., 1989). Anders Madsen, Adrian P. Mancuso, Michael Meyer, [48] L.V. Keldysh, “Diagram technique for nonequilibrium Andreas Scherz, Harald Sinn, and Ulf Zastrau, “Pho- processes,” ZhETF 47, 1515 (1964), [Soviet Phys. ton Beam Transport and Scientific Instruments at the JETP, 20, 1018 (1965)]. European XFEL,” Appl. Sci. 7, 592 (2017). [49] K. Balzer and M. Bonitz, Nonequilibrium Green’s Func- [27] Edward Shuryak, “Physics of strongly coupled quark- tions Approach to Inhomogeneous Systems (Springer, gluon plasma,” Progress in Particle and Nuclear Physics Berlin Heidelberg, 2013). 62, 48 – 101 (2009). [50] W.-D. Kraeft, D. Kremp, W. Ebeling, and [28] V. S. Filinov, Yu. B. Ivanov, V. E. Fortov, M. Bonitz, G. R¨opke, Quantum Statistics of Charged Particle Sys- and P. R. Levashov, “Color path-integral Monte-Carlo tems (Akademie-Verlag, Berlin, 1986).

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 simulations of quark-gluon plasma: Thermodynamic [51] W. Ebeling, V.E. Fortov, and V.S. Filinov, Quan- and transport properties,” Phys. Rev. C 87, 035207 tum Statistics of Dense Gases and Nonideal Plasmas (2013). (Springer, Heidelberg, 2017). [29] G.D. Mahan, Many-Particle Physics, Physics of Solids [52] D.M. Ceperley, “Path integral monte carlo methods for and Liquids (Springer US, 1990). fermions,” in Monte Carlo and Molecular Dynamics of [30] G. Giuliani and G. Vignale, Quantum Theory of the Condensed Matter Systems, edited by K. Binder and Electron Liquid, Masters Series in Physics and Astron- G. Ciccotti (Italian Physical Society, Bologna, 1996). omy (Cambridge University Press, 2005). [53] B. Militzer and D. M. Ceperley, “Path Integral [31] W. Sch¨afer and M. Wegener, Semiconductor Optics and Monte Carlo Calculation of the Deuterium Hugoniot,” Transport Phenomena (Springer, 2002). Phys. Rev. Lett. 85, 1890–1893 (2000). [32] H. Haug and A.-P. Jauho, Quantum Kinetics in Trans- [54] V S Filinov, M Bonitz, W Ebeling, and V E Fortov, port and Optics of Semiconductors (Springer, 2008). “Thermodynamics of hot dense H-plasmas: path inte- [33] G. Toscano, J. Straubel, A. Kwiatkowski, C. Rockstuhl, gral Monte Carlo simulations and analytical approxima- F. Evers, H. Xu, N. A. Mortensen, and M. Wubs, “Res- tions,” Plasma Phys. Control. Fusion 43, 743 (2001). onance shifts and spill-out effects in self-consistent hy- [55] T. Schoof, M. Bonitz, A. Filinov, D. Hochstuhl, and drodynamic nanoplasmonics,” Nat. Communications 6, J.W. Dufty, “Configuration path integral Monte Carlo,” This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 27

Contrib. Plasma Phys. 84, 687–697 (2011). (1961). [56] T. Schoof, S. Groth, J. Vorberger, and M. Bonitz, “Ab [71] L. P. Pitaevskii, “Vortex lines in an imperfect bose gas,” Initio thermodynamic results for the degenerate elec- Soviet Physics JETP-USSR 13 (1961). tron gas at finite temperature,” Phys. Rev. Lett. 115, [72] Cristian Cirac`ıand Fabio Della Sala, “Quantum hydro- 130402 (2015). dynamic theory for plasmonics: Impact of the electron [57] Tobias Dornheim, Simon Groth, Alexey Filinov, and density tail,” Phys. Rev. B 93, 205405 (2016). Michael Bonitz, “Permutation blocking path integral [73] Domenico de Ceglia, Michael Scalora, Maria A. Vin- Monte Carlo: a highly efficient approach to the simula- centi, Salvatore Campione, Kyle Kelley, Evan L. Run- tion of strongly degenerate non-ideal fermions,” New J. nerstrom, Jon-Paul Maria, Gordon A. Keeler, and Phys. 17, 073017 (2015). Ting S. Luk, “Viscoelastic optical nonlocality of low- [58] A. V. Filinov, V. O. Golubnychiy, M. Bonitz, W. Ebel- loss epsilon-near-zero nanofilms,” Scientific Reports 8, ing, and J. W. Dufty, “Temperature-dependent quan- 9335 (2018). tum pair potentials and their application to dense par- [74] Michael Bonitz, Alexei Filinov, Jens B¨oning, and tially ionized hydrogen plasmas,” Phys. Rev. E 70, James W. Dufty, “Introduction to quantum plasmas,” 046411 (2004). in Introduction to Complex Plasmas, Springer Series on [59] V. Filinov, P. Thomas, I. Varga, T. Meier, M. Bonitz, Atomic, Optical, and Plasma Physics, Vol. 59, edited by V. Fortov, and S. W. Koch, “Interacting electrons in a Michael Bonitz, Norman Horing, and Patrick Ludwig one-dimensional random array of scatterers: A quantum (Springer Berlin Heidelberg, 2010) pp. 41–77. dynamics and Monte Carlo study,” Phys. Rev. B 65, [75] G. Manfredi and F. Haas, “Self-consistent fluid model 165124 (2002). for a quantum electron gas,” Phys. Rev. B 64, 075316 [60] M. Knaup, P.-G. Reinhard, C. Toepffer, and G. Zwick- (2001). nagel, “Wave packet molecular dynamics simulations of [76] G. Manfredi, “How to model quantum plasmas,” Fields hydrogen at mbar pressures,” Computer Physics Com- Inst. Commun. 46, 263–287 (2005). munications 147, 202 – 204 (2002), proceedings of [77] N. Crouseilles, P.-A. Hervieux, and G. Manfredi, the Europhysics Conference on Computational Physics “Quantum hydrodynamic model for the nonlinear elec- Computational Modeling and Simulation of Complex tron dynamics in thin metal films,” Phys. Rev. B 78, Systems. 155412 (2008). [61] Travis Sjostrom and J´erˆome Daligault, “Fast and ac- [78] M. Bonitz, E. Pehlke, and T. Schoof, “Attractive forces curate quantum molecular dynamics of dense plasmas between ions in quantum plasmas: Failure of linearized across temperature regimes,” Phys. Rev. Lett. 113, quantum hydrodynamics,” Phys. Rev. E 87, 033105 155006 (2014). (2013). [62] L. Collins, I. Kwon, J. Kress, N. Troullier, and [79] M. Bonitz, E. Pehlke, and T. Schoof, “Reply to “com- D. Lynch, “Quantum molecular dynamics simulations ment on ‘attractive forces between ions in quantum plas- of hot, dense hydrogen,” Phys. Rev. E 52, 6202–6219 mas: Failure of linearized quantum hydrodynamics’ ”,” (1995). Phys. Rev. E 87, 037102 (2013). [63] K-U Plagemann, P Sperling, R Thiele, M P Desjarlais, [80] Shabbir A. Khan and Michael Bonitz, “Quantum C Fortmann, T D¨oppner, H J Lee, S H Glenzer, and hydrodynamics,” in Complex Plasmas, Springer Ser. R Redmer, “Dynamic structure factor in warm dense At., Opt., Plasma Phys., Vol. 82, edited by Michael beryllium,” New Journal of Physics 14, 055020 (2012). Bonitz, Jose Lopez, Kurt Becker, and Hauke Thomsen [64] B. B. L. Witte, L. B. Fletcher, E. Galtier, E. Gamboa, (Springer International Publishing, 2014) pp. 103–152. H. J. Lee, U. Zastrau, R. Redmer, S. H. Glenzer, and [81] D. Michta, F. Graziani, and M. Bonitz, “Quantum Hy- P. Sperling, “Warm dense matter demonstrating non- drodynamics for Plasmas a Thomas-Fermi Theory Per- drude conductivity from observations of nonlinear plas- spective,” Contrib. Plasma Phys. 55, 437–443 (2015). mon damping,” Phys. Rev. Lett. 118, 225001 (2017). [82] L. G. Stanton and M. S. Murillo, “Unified description [65] A. D. Baczewski, L. Shulenburger, M. P. Desjarlais, of linear screening in dense plasmas,” Phys. Rev. E 91, S. B. Hansen, and R. J. Magyar, “X-ray thomson scat- 033104 (2015). tering in warm dense matter without the chihara de- [83] Zh. A. Moldabekov, M. Bonitz, and T. S. Ra- composition,” Phys. Rev. Lett. 116, 115004 (2016). mazanov, “Theoretical foundations of quantum hy-

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 [66] D. Semkat, D. Kremp, and M. Bonitz, “Kadanoff-Baym drodynamics for plasmas,” Phys. Plasmas 25, 031903 equations with initial correlations,” Phys. Rev. E 59, (2018), https://doi.org/10.1063/1.5003910. 1557 (1999). [84] J. Vranjes, B. P. Pandey, and S. Poedts, “On quantum [67] M Bonitz, K Balzer, N Schl¨unzen, M Rasmussen, and plasma: A plea for a common sense,” EPL (Europhysics J-P Joost, “Ion impact induced ultrafast electron dy- Letters) 99, 25001 (2012). namics in correlated materials and finite graphene clus- [85] G. S. Krishnaswami, R. Nityananda, A. Sen, and ters,” Phys. Status Solidi B , 1800490 (2019). A. Thyagaraja, “A critique of recent semi-classical spin- [68] M M Becker, H K¨ahlert, A Sun, M Bonitz, and half quantum plasma theories,” Contrib. Plasma Phys. D Loffhagen, “Advanced fluid modeling and PIC/MCC 55, 3–11 (2015). simulations of low-pressure ccrf discharges,” Plasma [86] P. K. Shukla and B. Eliasson, “Novel attractive force Sources Sci. Technol. 26, 044001 (2017). between ions in quantum plasmas,” Phys. Rev. Lett. [69] D.A. Kirzhnits, Yu.E. Lozovik, and G.V. Sh- 108, 165007 (2012). patakovskaya, “Statistical model of matter,” Soviet [87] M Bonitz, E Pehlke, and T Schoof, “Comment on ‘Dis- Phys. Uspekhi 18, 649–672 (1975). cussion on novel attractive force between ions in quan- [70] E. P. Gross, “Structure of a quantized vortex in boson tum plasmas—failure of simulations based on a density systems,” Il Nuovo Cimento (1955-1965) 20, 454–477 functional approach’,” Phys. Scr. 88, 057001 (2013). This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 28

[88] Zhandos Moldabekov, Tim Schoof, Patrick Ludwig, [109] Simon Groth, Tobias Dornheim, Travis Sjostrom, Michael Bonitz, and Tlekkabul Ramazanov, “Stati- Fionn D. Malone, W. M. C. Foulkes, and Michael cally screened ion potential and Bohm potential in a Bonitz, “Ab initio Exchange-Correlation Free Energy quantum plasma,” Phys. Plasmas 22, 102104 (2015), of the Uniform Electron Gas at Warm Dense Matter https://doi.org/10.1063/1.4932051. Conditions,” Phys. Rev. Lett. 119, 135001 (2017). [89] Swadesh M. Mahajan and Felipe A. Asenjo, “Vortical [110] Kai Luo, Valentin V. Karasiev, and S. B. Trickey, dynamics of spinning quantum plasmas: Helicity con- “A simple generalized gradient approximation for the servation,” Phys. Rev. Lett. 107, 195003 (2011). noninteracting kinetic energy density functional,” Phys. [90] Stefanie Braun, Felipe A. Asenjo, and Swadesh M. Rev. B 98, 041111 (2018). Mahajan, “Spin-gradient-driven light amplification in a [111] Kieron Burke, Jan Werschnik, and E. K. U. Gross, quantum plasma,” Phys. Rev. Lett. 109, 175003 (2012). “Time-dependent density functional theory: Past, [91] Govind S. Krishnaswami, Rajaram Nityananda, Abhijit present, and future,” The Journal of Chemical Physics Sen, and Anantanarayanan Thyagaraja, “Comment on 123, 062206 (2005), https://doi.org/10.1063/1.1904586. “spin-gradient-driven light amplification in a quantum [112] Michael Bonitz, Alexey Filinov, Jan-Willem Abra- plasma”,” Phys. Rev. Lett. 112, 129501 (2014). ham, Karsten Balzer, Hanno K¨ahlert, Eckhard Pehlke, [92] Ritwik Mondal, Marco Berritta, and Peter M. Oppe- Franz X. Bronold, Matthias Pamperin, Markus Becker, neer, “Relativistic theory of spin relaxation mechanisms Dettlef Loffhagen, and Holger Fehske, “Towards an in- in the landau-lifshitz-gilbert equation of spin dynam- tegrated modeling of the plasma-solid interface,” Fron- ics,” Phys. Rev. B 94, 144419 (2016). tiers of Chemical Science and Engineering 13, 201–237 [93] S. von Malottki, B. Dupe, P.F. Bessarab, A. Delin, (2019). and S. Heinze, “Enhanced skyrmion stability due to ex- [113] Giovanni Manfredi, ed., “Phys. Plasmas vol. 25 (3), spe- change frustration,” Scient. Reports 7, 12299 (2017). cial topic: Plasmonics and solid state plasmas,” (2018). [94] P. K. Shukla and S. Ali, “Dust acoustic waves in quan- [114] T. Dornheim, S. Groth, J. Vorberger, and M. Bonitz, tum plasmas,” Physics of Plasmas 12, 114502 (2005). “Ab initio path integral monte carlo results for the dy- [95] Supplemental material, Tech. Rep. namic structure factor of correlated electrons: From the [96] J. Sheffield, Plasma Scattering of Electromagnetic Ra- electron liquid to warm dense matter,” Phys. Rev. Lett. diation (Academic Press, 1975). 121, 255001 (2018). [97] R. E. Wyatt, with Trajectories [115] Juras Pozhela, Plasma and Current Instabilities in (Springer, New York, 2005). Semiconductors (New York: Pergamon, 1981). [98] Fernando Haas, Quantum Plasmas. An Hydrodynamic [116] P Bakshi, J Cen, and K Kempa, “Current driven Approach (Springer, New York, 2011). plasma instability in quantum wires,” Solid State Com- [99] E Madelung, “Quantentheorie in hydrodynamischer mun. 76 (1990). Formulierung,” Z. Physik 40 (1927). [117] M. Bonitz, R. Binder, and S.W. Koch, “Carrier- [100] David Bohm, “A suggested interpretation of the quan- acoustic plasmon instability in semiconductor quantum tum theory in terms of ”hidden” variables. i,” Phys. wires,” Phys. Rev. Lett. 70, 3788 (1993). Rev. 85, 166–179 (1952). [118] M. Bonitz, R. Binder, D.C. Scott, S.W. Koch, [101] J R Barker and D K Ferry, “On the validity of quantum and D. Kremp, “Theory of plasmons in quasi-one- hydrodynamics for describing antidot array devices,” dimensional degenerate plasmas,” Phys. Rev. E 49 Semiconductor Science and Technology 13, A135–A139 (1994). (1998). [119] A. S. Bracker, E. A. Stinaff, D. Gammon, M. E. Ware, [102] J. Barker, “Bohm trajectories in quantum transport,” in J. G. Tischler, D. Park, D. Gershoni, A. V. Filinov, Progress in Nonequilibrium Green Functions II, edited M. Bonitz, F. Peeters, and C. Riva, “Binding energies by M. Bonitz and D. Semkat (2002) pp. 198–213. of positive and negative trions: From quantum wells to [103] Brett Larder, Dirk Gericke, Scott Richardson, Paul quantum dots,” Phys. Rev. B 72, 035332 (2005). Mabey, Thomas White, and Gianluca Gregori, “Fast [120] A. V. Filinov, C. Riva, F. M. Peeters, Yu. E. Lozovik, non-adiabatic dynamics of many-body quantum sys- and M. Bonitz, “Influence of well-width fluctuations on tems,” arXiv:1811.08161 (2018). the binding energy of excitons, charged excitons,and [104] Erich Runge and E. K. U. Gross, “Density-functional biexcitons in GaAs-based quantum wells,” Phys. Rev.

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 theory for time-dependent systems,” Phys. Rev. Lett. B 70, 035323 (2004). 52, 997–1000 (1984). [121] A. Ivlev, H. L¨owen, G. Morfill, and C. P. Royall, Com- [105] P. Hohenberg and W. Kohn, “Inhomogeneous electron plex Plasmas and Colloidal Dispersions (World Scien- gas,” Phys. Rev. 136, B864–B871 (1964). tific, 2012). [106] N. David Mermin, “Thermal properties of the inhomo- [122] M. Bonitz, N. Horing, and P. Ludwig, eds., Introduction geneous electron gas,” Phys. Rev. 137, A1441–A1443 to Complex Plasmas (Springer, 2010). (1965). [123] M. Bonitz, J. Lopez, K. Becker, and H. Thomsen, eds., [107] Aurora Pribram-Jones, Stefano Pittalis, E.K.U. Gross, Complex Plasmas: Scientific Challenges and Technolog- and Kieron Burke, “Thermal density functional theory ical Opportunities (Springer, 2014). in context,” Frontiers and Challenges in Warm Dense [124] M. Bonitz, C. Henning, and D. Block, “Complex plas- Matter, edited by F. Graziani, et al. (Springer) (2013). mas: a laboratory for strong correlations,” Reports on [108] Tobias Dornheim, Simon Groth, Travis Sjostrom, Progress in Physics 73, 066501 (2010). Fionn D. Malone, W. M. C. Foulkes, and Michael [125] P. K. Shukla and A. A. Mamun, “Introduction to dusty Bonitz, “Ab Initio Quantum Monte Carlo Simulation of plasma physics,” Plasma Physics and Controlled Fusion the Warm Dense Electron Gas in the Thermodynamic 44, 395–395 (2002). Limit,” Phys. Rev. Lett. 117, 156403 (2016). [126] N N Rao, P K Shukla, and M Y Yu, Planet. Space Sci. This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 29

38, 543 (1990). dust ion-acoustic Gardner double layers,” Journal of [127] A. Barkan, R. L. Merlino, and Dacoustic wave Physics A: Mathematical and Theoretical 45, 125501 mode, Physics of Plasmas 2, 3563–3565 (1995), (2012). https://doi.org/10.1063/1.871121. [145] Prerana Sharma and Shweta Jain, “Effect of polar- [128] Martin Lampe, Valeriy Gavrishchaka, Gurudas Gan- ization force on low-frequency dust modes with quan- guli, and Glenn Joyce, “Effect of trapped ions on shield- tum correction,” EPL (Europhysics Letters) 113, 65001 ing of a charged spherical object in a plasma,” Phys. (2016). Rev. Lett. 86, 5278–5281 (2001). [146] Juan-Fang Han, Dong-Ning Gao, Heng Zhang, Xiao- [129] M´artin Lampe, Rajiv Goswami, Zoltan Sternovsky, Yun Wang, and Wen-Shan Duan, “Effects of the Scott Robertson, Valeriy Gavrishchaka, Gurudas Gan- dust size distribution in one-dimensional quantum dusty guli, and Glenn Joyce, “Trapped ion effect on shield- plasma,” Frontiers of Physics 10, 105201 (2015). ing, current flow, and charging of a small object in a [147] W. F. El-Taibany and Miki Wadati, “Nonlinear quan- plasma,” Physics of Plasmas 10, 1500–1513 (2003). tum dust acoustic waves in nonuniform complex quan- [130] B. T. Draine and E. E. Salpeter, “On the physics of dust tum dusty plasma,” Physics of Plasmas 14, 042302 grains in hot gas,” Astrophys. J. 231, 77–94 (1979). (2007). [131] A. A. Sickafoose, J. E. Colwell, M. Hor´anyi, and [148] Punit Kumar and Abhisek Kumar Singh, “Effect of dust S. Robertson, “Photoelectric charging of dust particles grains on propagation of electromagnetic wave in a cold in vacuum,” Phys. Rev. Lett. 84, 6034–6037 (2000). quantum dusty plasma,” Journal of Plasma Physics 81, [132] P.K. Shukla and L. Stenflo, “Jeans instabilities in quan- 375810201 (2015). tum dusty plasmas,” Physics Letters A 355, 378 – 380 [149] Ripin Kohli and N. S. Saini, “Head-on collision of dust (2006). acoustic shock waves in quantum plasma,” Physics of [133] Ch. Rozina, N. L. Tsintsadze, and A. Khadija, “Jeans Plasmas 24, 063701 (2017). instability in a degenerate electron-positron-ion and [150] W. Masood, M. Siddiq, Shahida Nargis, and Arshad M. classical dusty plasma,” Physics of Plasmas 24, 083704 Mirza, “Propagation and stability of quantum dust-ion- (2017). acoustic shock waves in planar and nonplanar geome- [134] M. Jamil, A. Rasheed, M. Amir, G. Abbas, and try,” Physics of Plasmas 16, 013705 (2009). Young-Dae Jung, “Jeans-Alfv´en instability in quantum [151] A. P. Misra, “Dust ion-acoustic shocks in quantum dusty magnetoplasmas,” Journal of Plasma Physics 83, dusty pair-ion plasmas,” Physics of Plasmas 16, 033702 905830106 (2017). (2009). [135] P. Sharma, S. Jain, and R. P. Prajapati, “Effect of [152] E. Emadi and H. Zahed, “Linear and nonlinear dust ion fermi pressure and bohm potential on jeans instability acoustic solitary waves in a quantum dusty electron- of quantum dusty plasma in presence of polarization positron-ion plasma,” Physics of Plasmas 23, 083706 force,” IEEE Transactions on Plasma Science 44, 862– (2016). 869 (2016). [153] Prasanta Chatterjee, Brindaban Das, Ganesh Mondal, [136] M. Jamil, A. Rasheed, Ch. Rozina, Y.-D. Jung, and S. V. Muniandy, and C. S. Wong, “Higher-order cor- M. Salimullah, “Jeans instability with exchange effects rections to dust ion-acoustic soliton in a quantum dusty in quantum dusty magnetoplasmas,” Physics of Plasmas plasma,” Physics of Plasmas 17, 103705 (2010). 22, 082113 (2015). [154] S. Tasnim, S. Islam, and A. A. Mamun, “Planar and [137] M. Jamil, Zahid Mir, M. Asif, and M. Salimullah, non-planar dust ion-acoustic solitary waves in a quan- “Jeans stability in collisional quantum dusty magneto- tum dusty electronegative plasma,” Physics of Plasmas plasmas,” Physics of Plasmas 21, 092111 (2014). 19, 033706 (2012). [138] P. K. Karmakar and H. P. Goutam, “Electrostatic [155] M. R. Rouhani, A. Akbarian, and Z. Mohammadi, streaming instability modes in complex viscoelastic “Arbitrary amplitude solitary and shock waves in quantum plasmas,” Physics of Plasmas 23, 112121 an unmagnetized quantum dusty electron-positron-ion (2016). plasma,” Physics of Plasmas 20, 082303 (2013). [139] N. Rubab and G. Jaffer, “Electromagnetic waves and in- [156] S. K. El-Labany, E. F. El-Shamy, and S. K. El- stabilities in a non-degenerate quantum dusty plasma,” Sherbeny, “The impacts of dust size distribution on Physics of Plasmas 23, 113701 (2016). the head-on collision of quantum dust-acoustic solitary

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 [140] R. X. Luo, H. Chen, and S. Q. Liu, “Nonlinear dust waves in ultradense astrophysical objects,” Astrophysics acoustic waves in strongly coupled quantum dusty plas- and Space Science 340, 93–100 (2012). mas,” IEEE Transactions on Plasma Science 43, 1845– [157] Malay Kumar Ghorui, Prasanta Chatterjee, and C. S. 1850 (2015). Wong, “Head on collision of dust ion acoustic solitary [141] S. K. El-Labany, N. M. El-Siragy, W. F. El-Taibany, waves in magnetized quantum dusty plasmas,” Astro- E. F. El-Shamy, and E. E. Behery, “Linear and nonlin- physics and Space Science 343, 639–645 (2013). ear quantum dust ion acoustic wave with dust size dis- [158] Shalini Bagchi, Kasturi Roychowdhury, A.P. Mishra, tribution effect,” Physics of Plasmas 17, 053705 (2010). and A. Roy Chowdhury, “On the formation of shock [142] Yue yue Wang and Jie fang Zhang, “Cylindrical dust and soliton in a dense quantum dusty plasma with cylin- acoustic waves in quantum dusty plasmas,” Physics Let- drical geometry,” Communications in Nonlinear Science ters A 372, 3707 – 3713 (2008). and Numerical Simulation 15, 275 – 280 (2010). [143] M. Hasan, M. M. Hossain, and A. A. Mamun, “Pla- [159] U.M. Abdelsalam, “Dust-ion-acoustic solitary waves in nar and nonplanar quantum dust ion-acoustic Gardner a dense pair-ion plasma,” Physica B: Condensed Matter double layers in multi-ion dusty plasma,” Astrophysics 405, 3914 – 3918 (2010). and Space Science 345, 113–118 (2013). [160] Ch. Rozina, M. Jamil, Arroj A. Khan, I. Zeba, and [144] M M Hossain and A A Mamun, “Nonplanar quantum J. Saman, “Low frequency waves in streaming quantum This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 30

dusty plasmas,” Physics of Plasmas 24, 093702 (2017). [178] C. Kojima, K. Minami, Wenhong Qin, and O. Ishi- [161] M. Jamil, M. Ali, A. Rasheed, K. Zubia, and M. Sal- hara, “Optical observation of localized plasma after imullah, “Dust-lower-hybrid instability with fluctuating pulsed discharges in liquid helium,” IEEE Transactions charge in quantum plasmas,” Physics of Plasmas 22, on Plasma Science 31, 1379–1383 (2003). 032107 (2015). [179] S. N. Antipov, E. I. Asinovskii, V. E. Fortov, A. V. Kir- [162] L Stenflo, P. K Shukla, and M Marklund, “New low- illin, V. V. Markovets, O. F. Petrov, and V. I. Platonov, frequency oscillations in quantum dusty plasmas,” Eu- “Dust structures in cryogenic gas discharges,” Physics rophysics Letters (EPL) 74, 844–846 (2006). of Plasmas 14, 090701 (2007). [163] M Ayub, H A Shah, and M N S Qureshi, “Trapping ef- [180] J. Kubota, Ch. Kojima, W. Sekine, and O. Ishihara, fects in a self-gravitating quantum dusty plasma,” Phys- “Coulomb cluster in a plasma under cryogenic environ- ica Scripta 84, 045505 (2011). ment,” J. Plasma Fusion Res. Ser. 8, 0286 (2009). [164] Shweta Jain and Prerana Sharma, “Modified gravi- [181] R. I. Golyatina and S. A. Maiorov, “On ion temperature tational instability of degenerate and non-degenerate in cryogenic discharge,” Bulletin of the Lebedev Physics dusty plasma,” Physics of Plasmas 23, 093701 (2016). Institute 43, 237–241 (2016). [165] I Zeba, Maryam Batool, Arroj A Khan, M Jamil, and [182] D. N. Polyakov, L. M. Vasilyak, and V. V. Shumova, Ch Rozina, “SNS potential with exchange field in quan- “Synergetics of dusty plasma and technological aspects tum dusty plasmas,” Plasma Physics and Controlled Fu- of the application of cryogenic dusty plasma,” Surf. Eng. sion 59, 025008 (2016). Appl. Electrochem. 51, 143 (2015). [166] A. E. Dubinov, D. Yu. Kolotkov, and M. A. Sazonkin, [183] M. Mikikian, L. Couedel, M. Cavarroc, Y. Tessier, and “Nonlinear ion acoustic waves in a quantum degenerate L. Boufendi, “Plasma emission modifications and insta- warm plasma with dust grains,” Plasma Physics Re- bilities induced by the presence of growing dust parti- ports 37, 64–74 (2011). cles,” IEEE Transactions on Plasma Science 36, 1012– [167] V. Kumar, D.L. Sutar, and R.K. Pensia, “Effect of pho- 1013 (2008). toelectron current on jeans instability of rotating quan- [184] M. Cavarroc, M. Mikikian, Y. Tessier, and L. Boufendi, tum dusty plasma,” AIP Conference Proceedings 2100, “Nanostructured silicon thin films deposited under 020074 (2019). dusty plasma conditions,” IEEE Transactions on [168] M. Bonitz, D. Block, O. Arp, V. Golubnychiy, H. Baum- Plasma Science 36, 1016–1017 (2008). gartner, P. Ludwig, A. Piel, and A. Filinov, “Structural [185] S Ali, W M Moslem, I Kourakis, and P K Shukla, properties of screened coulomb balls,” Phys. Rev. Lett. “Parametric study of nonlinear electrostatic waves in 96, 075001 (2006). two-dimensional quantum dusty plasmas,” New Journal [169] H. K¨ahlert, J. Carstensen, M. Bonitz, H. L¨owen, of Physics 10, 023007 (2008). F. Greiner, and A. Piel, “Magnetizing a complex [186] U. M. Abdelsalam, S. Ali, and I. Kourakis, plasma without a magnetic field,” Phys. Rev. Lett. 109, “Nonlinear electrostatic excitations of charged 155003 (2012). dust in degenerate ultra-dense quantum dusty [170] M. Jura, “A tidally disrupted asteroid around the white plasmas,” Physics of Plasmas 19, 062107 (2012), dwarf g29-38,” The Astrophysical Journal 584, L91–L94 https://doi.org/10.1063/1.4729661. (2003). [187] M. Bonitz, V. S. Filinov, V. E. Fortov, P. R. Levashov, [171] P. Chayer, G. Fontaine, and F. Wesemael, “Radiative and H. Fehske, “Crystallization in two-component Levitation in Hot White Dwarfs: Equilibrium Theory,” coulomb systems,” Phys. Rev. Lett. 95, 235006 (2005). Astrophysical Journal Supplement 99, 189 (1995). [188] Ali, S. and Shukla, P. K., “Streaming instability in [172] D Koester and G Chanmugam, “Physics of white dwarf quantum dusty plasmas,” Eur. Phys. J. D 41, 319–324 stars,” Reports on Progress in Physics 53, 837–915 (2007). (1990). [189] In Ref. [142], ni/ne = 4 was considered (with Zi = [173] John H. Debes and Steinn Sigurdsson, “Are there unsta- 1), meaning that P = 3 was used. In Ref.[144], for ble planetary systems around white dwarfs?” The As- the description of the plasma composition, some other trophysical Journal 572, 556–565 (2002). different dimensionless parameters were used instead [174] Piotr M. Kowalski, “Infrared absorption of dense helium of the Havnes parameter. Using these parameters one and its importance in the atmospheres of cool white can deduce that the Havnes parameter in the range

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 dwarfs,” Astronomy and Astrophysics 566, L8 (2014). 0.16 . P . 1.5 was used. In Ref. [147], ni/ne = 2 [175] T. S. Ramazanov, A. N. Jumabekov, S. A. Orazbayev, and ni/ne = 4 were used, which correspond to P = 1 M. K. Dosbolayev, and M. N. Jumagulov, “Optical and and P = 3, respectively. kinetic properties of the dusty plasma in radiofrequency [190] E. F. EL-Shamy, F. S. Gohman, M. M. Alqahtani, and discharge,” Physics of Plasmas 19, 023706 (2012). S. AlFaify, “The effects of geometrical configurations on [176] N. K. Bastykova and Z. Donko and S. K. Kodanova the head collision on nonlinear solitary pulses in a quan- and T. S. Ramazanov and Z. A. Moldabekov, “Manip- tum semiconductor plasma: A case study on gaas semi- ulation of dusty plasma properties via driving voltage conductor,” Physics of Plasmas 25, 012108 (2018). waveform tailoring in a capacitive radiofrequency dis- [191] Otto L. Muskens, Andrey V. Akimov, and Jaap I. Di- charge,” IEEE Transactions on Plasma Science 44, 545– jkhuis, “Coherent interactions of terahertz strain soli- 548 (2016). tons and electronic two-level systems in photoexcited [177] K. Minami, Y. Yamanishi, and T. Nakatani, “Very ruby,” Phys. Rev. Lett. 92, 035503 (2004). slowly decaying afterglow plasma in cryogenic he- [192] N. M. Stanton and A. J. Kent, “Propagation of high lium gas,” in IEEE Conference Record - Abstracts. amplitude strain pulses in sapphire,” Phys. Rev. B 73, 2002 IEEE International Conference on Plasma Science 220301 (2006). (Cat. No.02CH37340) (2002) p. 221. [193] Michael Bonitz, “Editorial,” Contributions to Plasma This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. 31

Physics 59, 8–8 (2019). component plasma,” Phys. Rev. E 64, 016409 (2001). [194] Zh.A. Moldabekov, M. Bonitz, and T.S. Ramazanov, [207] Plasma Science: Advancing Knowledge in the National “Gradient correction and Bohm potential for two- and Interest, Report (National Research Council, 2007). one-dimensional electron gases at a finite temperature,” [208] F Skiff and J Wurtele, Plasma: at the frontier of sci- Contrib. Plasma Phys. 57, 499–505 (2017). ence discovery, Tech. Rep. (U.S. Department of Energy, [195] T. Schoof, S. Groth, and M. Bonitz, “Towards ab initio Office of Sciences, 2017) report of the panel on Frontiers thermodynamics of the electron gas at strong degener- of Plasma Science. acy,” Contrib. Plasma Phys. 55, 136–143 (2015). [209] Th. Ohde, M. Bonitz, Th. Bornath, D. Kremp, and [196] A.V. Filinov, Yu.E. Lozovik, and M. Bonitz, “Path in- M. Schlanges, “Relaxation of temperature and chemi- tegral simulations of crystallization of quantum confined cal composition in nonideal plasmas,” Phys. Plasmas 2, electrons,” Phys. Status Solidi B 221, 231–234 (2000). 3214–3221 (1995). [197] C. Henning, K. Fujioka, P. Ludwig, A. Piel, A. Melzer, [210] Th. Ohde, M. Bonitz, Th. Bornath, D. Kremp, and and M. Bonitz, “Existence and vanishing of the breath- M. Schlanges, “Two-temperature relaxation in nonideal ing mode in strongly correlated finite systems,” Phys. partially ionized plasmas,” Phys. Plasmas 3, 1241–1249 Rev. Lett. 101, 045002 (2008). (1996). [198] S. Bauch, K. Balzer, C. Henning, and M. Bonitz, [211] J. Vorberger, D. O. Gericke, Th. Bornath, and “Quantum breathing mode of trapped bosons and M. Schlanges, “Energy relaxation in dense, strongly fermions at arbitrary coupling,” Phys. Rev. B 80, coupled two-temperature plasmas,” Phys. Rev. E 81, 054515 (2009). 046404 (2010). [199] C. R. McDonald, G. Orlando, J. W. Abraham, [212] D.V. Knyazev and P.R. Levashov, “Thermodynamic, D. Hochstuhl, M. Bonitz, and T. Brabec, “Theory of transport, and optical properties of dense silver plasma the quantum breathing mode in harmonic traps and its calculated using the greekup code,” Contributions to use as a diagnostic tool,” Phys. Rev. Lett. 111, 256801 Plasma Physics 59, 345–353 (2019). (2013). [213] N.-H. Kwong and M. Bonitz, “Real-time Kadanoff- [200] Jan Willem Abraham, Michael Bonitz, Chris McDon- Baym approach to plasma oscillations in a correlated ald, Gianfranco Orlando, and Thomas Brabec, “Quan- electron gas,” Phys. Rev. Lett. 84, 1768–1771 (2000). tum breathing mode of trapped systems in one and two [214] N. H. Kwong, M. Bonitz, R. Binder, and H. S. K¨ohler, dimensions,” New J. Phys. 16, 013001 (2014). “Semiconductor Kadanoff-Baym Equation Results for [201] F. Haas, G. Manfredi, P. K. Shukla, and P.-A. Optically Excited Electron-Hole Plasmas in Quantum Hervieux, “Breather mode in the many-electron dynam- Wells,” Phys. Status Solidi B 206, 197–203 (1998). ics of semiconductor quantum wells,” Phys. Rev. B 80, [215] B. Jakob, P.-G. Reinhard, C. Toepffer, and G. Zwick- 073301 (2009). nagel, “Wave packet simulation of dense hydrogen,” [202] Patrick Ludwig, Michael Bonitz, Hanno K¨ahlert, and Phys. Rev. E 76, 036406 (2007). James W Dufty, “Dynamics of strongly correlated ions [216] Yaroslav S. Lavrinenko, Igor V. Morozov, and Ilya A. in a partially ionized quantum plasma,” J. Phys.: Conf. Valuev, “Wave packet molecular dynamics–density Ser. 220, 012003 (2010). functional theory method for non-ideal plasma and [203] P.A. Andreev, “Quantum kinetics of spinning neutral warm dense matter simulations,” Contributions to particles: General theory and spin wave dispersion,” Plasma Physics 59, e201800179 (2019). Physica A: Statistical Mechanics and its Applications [217] H. K¨ahlert and M. Bonitz, “Collective excitations of a 432, 108 – 126 (2015). spherically confined Yukawa plasma,” Phys. Rev. E 83, [204] F. Haas, “Kinetic theory derivation of exchange- 056401 (2011). correlation in quantum plasma hydrodynamics,” [218] Hanno K¨ahlert, Gabor J. Kalman, and Michael Bonitz, Plasma Physics and Controlled Fusion 61, 044001 “Linear fluid theory for weakly inhomogeneous plasmas (2019). with strong correlations,” Contrib. Plasma Phys. 55, [205] Dmitri A Uzdensky and Shane Rightley, “Plasma 352–359 (2015). physics of extreme astrophysical environments,” Re- [219] Frank Stern, “Polarizability of a two-dimensional elec- ports on Progress in Physics 77, 036902 (2014). tron gas,” Phys. Rev. Lett. 18, 546–548 (1967). [206] V. Golubnychiy, M. Bonitz, D. Kremp, and [220] M. Bonitz, R. Binder, D.C. Scott, S.W. Koch, and

PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 M. Schlanges, “Dynamical properties and plasmon D. Kremp, “Plasmons and instabilities in quantum plas- dispersion of a weakly degenerate correlated one- mas,” Contrib. Plasma Phys. 33, 536 (1993). This is the author’s peer reviewed, accepted manuscript. However, online version of record will be different from this once it has been copyedited and typeset. This is the author’s peer reviewed, accepted manuscript. However, the online version of record will be different from this version once it has been copyedited and typeset. PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 This is the author’s peer reviewed, accepted manuscript. However, the online version of record will be different from this version once it has been copyedited and typeset. PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885 This is the author’s peer reviewed, accepted manuscript. However, the online version of record will be different from this version once it has been copyedited and typeset. PLEASE CITE THIS ARTICLE AS DOI: 10.1063/1.5097885