Master Program Theoretical and Mathematical Physics
Master Thesis
Derivation and Meaning of the Newton-Schrödinger Equation
Aaron Schaal
Advisor: Prof. Dr. Detlef Dürr Second Advisor: Dr. Ward Struyve
Date: 12.07.2016
Abstract
In this thesis, we provide a mathematically rigorous derivation of the Newton-Schrödinger equation as an effective equation for a system of identical bosons interacting via gravity in the Vlasov limit. Moreover, error estimates coming from a finite number of particles are given. We shortly give an overview of some possible generalizations of our proof. Furthermore, we critically discuss other contexts in which the Newton-Schrödinger equation appears in the literature.
Contents
1 Introduction ...... 1
2 From Semiclassical Gravity to a Schrödinger Equation with a Gravitational Po- tential ...... 2 2.1 Semiclassical Einstein Equations ...... 2 2.2 Remarks on Difficulties of Semiclassical Gravity ...... 3 2.3 Newtonian Limit of Semiclassical Gravity ...... 4
3 Remark on the Schrödinger Equation with a Gravitational Potential ...... 5
4 Derivation of the Newton-Schrödinger Equation as a Mean Field Equation ... 5 4.1 The Bosonic Case ...... 7 4.2 Possible Generalizations ...... 17
5 Role of the Newton-Schrödinger Equation in the Literature ...... 18
6 Conclusion ...... 20
References ...... 21
1 Introduction
Establishing a mathematically well-defined and experimentally testable theory of quantum gravity is undoubtedly one of the (if not even the) greatest task of modern theoretical physics. The concep- tual and mathematical difficulties by constructing such a theory are so grave that many of the best theoretical physicists were not able to do so despite greatest efforts and various different attempts. One of the most difficult problems in formulating a theory of quantum gravity is that it is not clear at all how to quantize gravity. Since the gravitational force is rather weak, the theory of semiclassical gravity as a (probably effective) theory has been established in which one only quantizes the matter and treats the gravitational force classically. However, even this theory is very difficult to analyze. Hence one is forced to simplify it further. The most natural description for a non-relativistic quantum mechanical system is a Schrödinger equation with a gravitational interaction potential
0 1 N 2 @ .x; t/ X 2 X 1 i @ „ i Gm A .x; t/: (1.1) „ @t D 2mi xi xj i 1 i j D ¤ j j For a many-body system, solving this partial differential equation becomes a very hard or even impossible task, too. Therefore one has to find a effective equation for such systems. The Newton-Schrödinger equation
 2 Z 2 à @ .x; t/ 2 2 3 .x0; t/ i „ Gm d x0 j j .x; t/ (1.2) „ @t D 2mr x x j 0j has been considered to be the right effective equation for the mean field describing a system of infinitely many particles governed by (1.1). In this thesis we prove that this is indeed the case, at least for a system of identical bosons. In this thesis, we will keep, for clarity, the physical constants most of the time. In the subsequent section (section 2) we present the foundations of semiclassical gravity. Some heuristic arguments for semiclassical gravity following from general relativity are provided. Further- more we discuss the major difficulties regarding semiclassical gravity shortly. After that we argue that equation (1.1) can be derived from semiclassical gravity by linearizing and taking the Newtonian limit of the latter. Section 3 provides some arguments for eq. (1.1) not involving semiclassical gravity. The focus of this thesis lies on section 4 in which our main result is proven. We provide a deriva- tion of the Newton-Schrödinger equation as a mean-field equation from the many-body Schrödinger equation with Newtonian potential in the limit of infinitely many particles. For the case of a gas of identical bosons, this is done in all mathematical details using Grønwall’s lemma. Furthermore, we provide estimates of errors coming from a finite number of particles. Afterwards we provide an overview of possible generalizations of that proof, e.g. for fermionic systems. In section 5, we discuss the different roles that the Newton-Schrödinger equation plays in the literature critically.
1 In the last section (sec. 6) we summarize the most important results once again.
2 From Semiclassical Gravity to a Schrödinger Equation with a Gravitational Potential
Nobody knows how to formulate a theory of quantum gravity, i.e. a theory of quantum matter moving in a quantized gravitational field, which is mathematically well-defined and provides experimentally testable results. The canonical quantization of gravity yielding the Wheeler-DeWitt equation and the theory of loop quantum gravity are examples of attempts towards such a theory. However, they are full of mathematical and interpretational problems. The root problem seems to be quantizing the gravitational field. Hence, it was proposed in [1, 2] not to quantize gravity but treat the gravitational fields classically. This theory is called semiclassical gravity. Generally, the notion of semiclassical gravity refers to some kind of theory that regards matter as quantized field operators but treats the gravitational field "classically", i.e. not quantized. The motion of the matter fields is described by the so-called quantum field theory in curved space-time [3–5]. Whether this classical treatment of gravity is valid on a fundamental level or only for an effective theory is a widely discussed issue (cf. e.g. [6–8]). If one regards semiclassical gravity as an approx- imation to a full theory of quantum gravity, the regime in which it is fine as an effective theory is when the frequency of the quantized gravitation is very small compared with the Planck frequency1, and in addition, the energy of particles created resp. annihilated by the quantum fluctuations is small compared with the one of the gravitational field (cf. e.g. [9, 10]). In our opinion there is a strong evidence that the theory of semiclassical gravity is only an effective theory and not a fundamental one. Hence, we will assume in our derivation of the NSE that there is a fundamental theory of quantum gravity from which semiclassical gravity follows. Some arguments why we regard semiclassical gravity as effective theory will be discussed after deriving the Newton- Schrödinger equation, in sec. 5.
2.1 Semiclassical Einstein Equations
The purpose of semiclassical gravity is to take into account the most important backreaction from the quantum matter onto the classical background, i.e. the classical gravitational field of general relativity. To determine the part of the backreaction which contributes most one can use the method of the effective action. This method is also used in other quantum field theories for the same purpose. It is based on the path integral formulation. We will not explain it in all details since for this thesis the details are not important. (See [5, 11, 12] for more details) The basic idea of the method of effective action is to transfer the principle of stationary action
1 c5 43 1 !p G 10 s D „
2 from classical physics to quantum physics. Of course, one generally has to consider all possible paths in the full quantum case. However, due to a stationary phase argument the paths which contribute most are the ones whose action is approximately equal to the classical action. Hence considering those yields exactly the limiting case one is interested in. The effective action of a quantum system under an operator happens to be the expectation value of that operator since due to the path integral formulation the paths whose action is nearly the classical action are determined by the expectation value of the quantum operator. This can be seen by using the generating function belonging to that operator. As said before, the mathematical details of the effective action method are beyond the scope of this thesis. The classical Einstein-Hilbert action of general relativity is
4 Z c 4 SEH pgRd x (2.1) D 8G where G is the Newtonian constant of gravity, c is the speed of light, g denotes the determinant of the metric and R is the Ricci scalar. In this thesis we use the convention (-,+,+,+) for the signature of the metric, and the other sign conventions are also adopted from [13]. In classical general relativity the vacuum Einstein field equations are derived by taking the func- tional derivative of that action with respect to the metric tensor g and applying the principle of the stationary action. In presence of matter one has to take into account the derivative of the cou- pled action of the matter, too. This term which arises due to matter/energy in the classical theory is (proportional to) the so-called energy-momentum-tensor. Following the method of the effective action, this statement can be rewritten for quantum matter in terms of the expectation value of the quantized energy-momentum-tensor. This yields the semiclassical Einstein equations
1 8G D E G R gR T (2.2) WD C 2 D c4 O D E with G being the Einstein tensor, R the Riemann tensor, g the metric tensor and T the O expectation value of the quantized energy-momentum-tensor of the general theory of relativity. The expectation value is to be taken with respect to some quantum field . This quantity can physically be interpreted as the mass density of the field. Taking the expectation value of a quantum operator is also the most natural operation in order to get a real number. Since the components of G are no quantum operators but real numbers one has to get some real number out of the quantized energy-momentum-tensor. As explained before, the operation of taking the expectation value also follows from the method of the effective action.
2.2 Remarks on Difficulties of Semiclassical Gravity
One of the most (if not the most) severe difficulty of semiclassical gravity is the question how to quantize the energy-momentum-tensor. The problem thereby is that it is not renormalizable (cf. e.g. [4, 5, 14] and others). There have been different ways proposed how to pass that difficulty.
3 The unrenormalizability is much more grave than that of quantum electrodynamics. In [14] the approximate energy-momentum-tensors for several different fields in a weak gravitational field are calculated by using Feynman diagrams up to one loop. Wald ([4, 15] considers an axiomatic approach. He develops several axioms that the expectation value of quantized energy-momentum-tensor has to fulfil. From these axioms he constructs the expec- tation values of some quantized energy-momentum-tensors for simple systems. There is however no mathematically well-defined method to construct the quantized energy- momentum-tensor in an unambiguous manner. Moreover, another problematic aspect regarding the semiclassical Einstein equations is that in classical general relativity the Einstein tensor is conserved identically, i.e. G 0. However, this r D does not hold for the expectation value of the energy-momentum-tensor in general. Hence, the left hand side of eq. (2.2) is covariantly conserved while the right hand side is not. That fact is not that bad if one considers semiclassical gravity only as an effective theory since effective theories are only valid in a certain regime, and there the difference does not really matter. But if one regards semiclassical gravity as the fundamental theory for quantum matter moving through gravitational backgrounds (cf. sec. 5 for a further discussion) one has to deal with that incompatibility. We mention for completeness that there have been proposed other approaches to take into account the backreaction of quantum matter onto a background metric, e.g. the so-called stochastic gravity (cf. [16]). In this theory a stochastic term is added to the effective action. This yields the Einstein- Langevin equation which is a stochastic extension of the semiclassical Einstein equations and which takes quantum fluctuations of the system into account as sources of gravity. In this thesis, we will not consider it further, since it does not yield a Newton-Schrödinger equation. We also note that (as already the classical Einstein field equations) the semiclassical Einstein equa- tions are nonlinear and hence very difficult to solve. In addition, the semiclassical Einstein equations are non-local due to the non-locality of the quantum field. This makes finding a solution notoriously difficult. Therefore some approximations of the semiclassical Einstein equations are needed. In this thesis, we only regard the so-called Newtonian limit of semiclassical gravity.
2.3 Newtonian Limit of Semiclassical Gravity
We only provide a short and heuristic argumentation here (some more details can be found in [6, 7]). Assuming that semiclassical gravity is only an effective theory valid for small frequencies of the metric and small quantum fluctuations, one can linearize semiclassical gravity for a weak gravitational field around flat space-time. Therefore the line element of the metric is
ds2 .1 2V /dt dx (2.3) D C like in the weak field limit of classical general relativity. In this metric the semiclassical Einstein equation can be written as
V 4G T00 (2.4) D h O i
4 with being the Laplacian and T the "time-time" component of the quantized energy-momentum- O00 tensor. Taking only the "time-time" component corresponds to the non-relativistic limit. This is com- pletely analogous to the classical case. Solving Poisson’s equation eq. (2.4) yields
Z T00.x / V.x/ G h O 0 i : (2.5) D x x0 3 R j j
The dependence of T on the coordinate occurs because of constraints. After second quantization O00 and mass renormalization this yields
0 1 N 2 @ .x; t/ X 2 X 1 i @ „ i Gm A .x; t/ (2.6) „ @t D 2mi xi xj i 1 i j D ¤ j j where is the wave function of the particles coming from the second quantized field . This equation is the starting point of our derivation of the Newton-Schrödinger equation in sec. 4.
3 Remark on the Schrödinger Equation with a Gravitational Potential
There are also other ways to derive this equation. For example, in [7] this equation is also obtained by starting with the Einstein-Hilbert action of classical general relativity (2.1) with some coupled classical fields, e.g. a minimal coupled Klein-Gordon scalar field. To perform a reduced state space quantization one has to perform a 3+1 decomposition of the resulting action (see also [17] for a explanation of this method of decomposition of space-time into space-like hypersurfaces). For this decomposed action they perform the weak field limit by linearizing this action. This yields a Lagrangian and after a Legendre transformation a (still classical) Hamiltonian. Then after fixing the gauge and taking the non-relativistic limit the canonical quantization rules can be applied to obtain eq. (2.6). Since this is done in [7] in a mathematically rather rigorous manner, we do not recap the mathematical details of this derivation. Of course, one can also guess this equation as it is. It is simply a Schrödinger equation with a Newtonian gravitational potential. In principle one does not need to derive it from general relativity or semiclassical gravity since it is the natural equation for non-relativistic quantum particles interacting via Newtonian gravitation.
4 Derivation of the Newton-Schrödinger Equation as a Mean Field Equation
In sec. 2 and 3 we provided some arguments why
5 0 1 N 2 @ .x; t/ X 2 X 1 i @ „ i Gm A .x; t/ „ @t D 2mi xi xj i 1 i j D ¤ j j correctly describes a non-relativistic quantum system with gravitational interaction potential. Our purpose now is to show that the effective behavior of a quantum system evolving due to (2.6) is described by the Newton-Schrödinger equation (1.2) if the number of particles in the system is very large, i.e. in the limit N . ! 1 Particularly, this holds if the kinetic energy is of the same order of magnitude as the potential energy2. However, the potential energy in (2.6) does not scale in the same way with N as the kinetic energy, since the sum contained in the potential is a double sum with N.N 1/ summands altogether, whereas the sum in the kinetic term has only N summands. To compensate this difference we have to scale it with an additional factor .N 1/ 1 which we insert manually in (2.6). 0 1 N 2 @ .x; t/ X 1 2 X 1 i @ „ i .N 1/ Gm A .x; t/ (4.1) „ @t D 2mi xi xj i 1 i j D ¤ j j Of course, that solution seems to be very unphysical at first glance. However, one retains an equation that resembles (2.6) simply via scaling of the space and time coordinates. Substituting y .N 1/x yields D 0 1 N 2 @ .y; t/ 2 X 1 2 X 1 i @ .N 1/ „ i .N 1/ Gm A .y; t/ „ @t D 2mi Q .N 1/ yi yj i 1 i j D ¤ j j where is the Laplacian in the new y-coordinates. Now we scale the time .N 1/2t and receive Q D 0 1 N 2 @ .y; / X 2 X 1 i @ „ i Gm A .y; / (4.2) „ @ D 2mi Q yi yj i 1 i j D ¤ j j which has exactly the same form as (2.6) but in the new coordinates. Let us shortly explain why the scalings are physically reasonable. The scaling of the spatial coordi- nates means nothing else but that the more particles are there the more space they need. That is, the volume of the system grows with the number of particles in the system. Also one could have expected that only the behavior on large time scales would matter since each interaction of the single particles clearly does matter on short time intervals but will not be relevant if one considers long time scales (the single interactions will effectively cancel each other and only an effective interaction potential, the mean field potential, will survive). The standard procedure to derive a mean field equation for such a microscopic system is to consider
2This point is mostly ignored in the literature, e.g. in [6].
6 the reduced density matrices Z N 2 3 N .x; y/ N .x; x1; x2; :::; xN / .y; x1; x2; :::; xN /dx dx :::dx : D N
This method is based on the fact that the time evolution of the reduced density matrices is given by the von Neumann equation @ i ŒH; „ @t D where H is the Hamiltonian of the entire system. Hence, it is not sufficient to consider only the one- particle density matrix of the system since its time evolution depends on the reduced two-particle density matrices. Since the evolution of the reduced two-particle density matrices depends on the reduced density matrices for three particles and so forth, there exists a hierarchy of reduced density matrices. One main difficulty by deriving a mean field equation via this hierarchy of reduced density matrices is that it is necessary to regard all kinds of reduced density matrices and take the limit N which is a rather big effort since one has to take basically all types of interactions into ! 1 consideration. However, there is a much simpler (and even more powerful) procedure to derive mean field equations which is based on Grønwall’s lemma (cf. 4.5). This method was invented by Pickl in [18] to derive the Hatree equation for a Bose gas. Using this method we will rigorously prove that the NSE is the correct mean field equation for a system described by (2.6). For simplicity we shall begin with the derivation for identical bosons. This is also the case inter- esting for applications to some cosmological models, such as the inflation model (cf. e.g. [19]).
4.1 The Bosonic Case
In the following we consider a gas of identical bosons which is microscopically described by (4.1) resp. (4.2).
2 3N 2 3 3 Definition 4.1. Let L .R / be a solution of (4.1) and '.xj / L .R / L1.R / be a (bounded) 2 2 \ solution of the Newton-Schrödinger equation (1.2)
 2 Z 2 à @'.x; t/ 2 2 3 '.x0; t/ i „ Gm d x0 j j '.x; t/ „ @t D 2mr x x j 0j  2 Gm2 à „ 2 '.x; t/ 2 '.x; t/: (4.3) D 2mr j j x
Furthermore, assume that N O lim 'j : (4.4) D N !1 j 1 D ' 2 3N 2 3N Then we define p L .R / L .R / j W ! Z ' 3 p .x1; x2; :::; xN / '.xj / '.xj / .x1; x2; :::; xN /d xj (4.5) j D
7 or shortly ' p '.xj / '.xj / (4.6) j D j ih j ' 2 3N 2 3N and q L .R / L .R / j W ! q' 1 p' (4.7) j D j where 1 denotes the identity.
' ' Lemma 4.2. The operators pj and qj are projectors and thus have eigenvalues 0 and 1. Proof. ' ' ' ' pj pj '.xj / '.xj / '.xj / '.xj / pj pj is a projector. D j i„ h ƒ‚j …ih j D ) 1 D ' ' ' This also implies that qj is a projector. As for all projectors the eigenvalues of pj , qj are 0 and 1 which follows from the fact that the eigenvalue equation for a projector can be written as
.p' /2 p' 2 0 0; 1 : j D j ) D ) 2 f g
' th th Physically spoken, pj determines whether the j component of the wave function resp. the j ' particle is the same as the wave function 'j evolving due to the Newton-Schrödinger equation. qj has of course the opposite meaning. The assumption (4.4) that the bosons are asymptotically in a product state, i.e. that they are nearly uncorrelated, is physically reasonable in many situations, e.g. in the cosmological inflation model (cf. [19]). ' Now we compute the derivative of qj . This will be necessary to use Grønwall’s lemma afterwards. Lemma 4.3. Let 2 Gm2 h „ 2 '.x; t/ 2 (4.8) D 2mr j j x ' be the Hamiltonian of the Newton-Schrödinger equation (4.3). Then the time derivative of qj is
' i ' i ' dt q Œh; p Œh; q (4.9) j D j D j „ „ where Œ ; denotes the commutator. Proof.
' (4.7) ' Á (4.6) (4.3) iht iht i ' dt qj dt 1 pj dt '.xj / '.xj / e „ '.xj / '.xj / e „ Œh; pj : D D j ih D j„ ƒ‚ih …j D ' „ pj
This last step is of course valid for arbitrary operators and nothing else than Heisenberg’s equation of motion.
8 Now, we are ready to introduce a quantity that counts the relative number of particles not being described by the NSE (cf. [18]).
Definition 4.4. Let ; denote the expectation value of w.r.t. . Then we define hi D h i
N N ' 1 XD ' E 1 X ' 2 ˛j qj qj : (4.10) WD N D N k k j 1 j 1 D D We remark that 0 ˛' 1 holds for any and '. We also note that Ä Ä
˛' ˛' (4.11) j D i because of the symmetry of the wave function. ' We shall prove in the following that under the condition that ˛j is small at one time, it remains small for all (physically relevant) times if the wave functions and ' evolve according to the respective ' equations ((2.6) for and the Newton-Schrödinger equation (4.3) for '). Since the quantity ˛j gives the relative number of particles which are not in a product state of wave functions '.xj /, it is clear ' that if the value of ˛j .t/ remains small for all times t it physically means that (4.3) describes effective behavior of the system very well and thus is the right mean field equation. We shall estimate the time evolution of this quantity by aid of Grønwall’s lemma3.
Lemma 4.5 (Grønwall’s lemma). Let b' .t/; c' .t/ L1.Œ0; // C 0.Œ0; // be continuous and inte- 2 1 \ 1 grable functions on Œ0; / with c' .t/ 0. If 1
' ' ' ' dt ˛ .t/ b .t/˛ .t/ c .t/ (4.12) j j Ä C the following holds: 0 t 1 t Z Z ' ' ' ' ˛ .t/ ˛ .0/exp@ b ./dA c ./d: (4.13) Ä C 0 0 We don’t give a proof of Grønwall’s lemma since it is a standard lemma (for a proof see e.g. [20, 21]). Grønwall’s lemma is the key ingredient in the proof of the following theorem.
Theorem 4.6. Let ˛' .t/ be as in (4.10). Then
0 t 1 Z ' ' ' ' ˛ .t/ exp@ C ./dA˛ .0/ C t (4.14) Ä 1 C 2 0
3There are different versions of Grønwall’s lemma. We state only that one which we will use afterwards (for an overview cf. [20]).
9 q ! q 2 ' 2 2 ' 2 ' 2 4 D 2 q ' 2 ' 2 4 D 2 ' GM j C p 2 GM j C 1 with C1 Œx 2 4 2 4 Dj and C2 Œx 2 N where Dj D „ C C C D „ D ess sup '.xj / and Œx denotes the unit of length used in the respective (experimental) situation. In case ' ' of equidistant particles the constants C1 and C2 are independent of the particle.
' ' Proof. The independence of the constants C1 and C2 regarding the particle follows immediately from (4.11). By virtue of Grønwall’s lemma it suffices to show that
' ' ' ' dt ˛ .t/ C ˛ .t/ C : (4.15) j j Ä 1 C 2
Hence, we have to compute the derivative of ˛' .t/. Since all particles are identical bosons we can restrict ourselves on one particle, e.g. the j th particle. ' Because of (4.11) we will sometimes drop the labels of ˛j and will write ˛ for simplicity. Let 2 1 2 X 1 Hj „ j .N 1/ Gm (4.16) WD 2m xi xj i j ¤ j j be the Hamiltonian of (4.1) for fixed j . Using the Ehrenfest theorem we get
' D ' E i D ' E D ' E lemma 4.3 dt ˛ .t/ dt qj ŒHj ; qj .dt qj / D D C D „ i D ' E i D ' E i D ' E ŒHj ; qj Œhj ; qj ŒHj hj ; qj : (4.17) D D „ „ „
It should not be surprising that the difference Hj hj between the Hamiltonian of the microscopic ' equation (4.1) and the one of the Newton-Schrödinger equation (4.3) shows up in the dynamics of ˛j since ˛ is by definition the relative number of particles falsely described by the Newton-Schrödinger equation. We take a closer look on this difference. 0 1 2  2 2 à 1 2 X 1 2 Gm Hj hj @ „ j .N 1/ Gm A „ j 'j .x; t/ D 2m xi xj 2m j j x D i j ¤ j j 2 2 2 Gm 1 2 X 1 identical 2 Gm 2 1 'j .x; t/ .N 1/ Gm 'j .x; t/ Gm D j j xj xi xj bosonsD j j xj xi xj i j ¤ j j „ ƒ‚ j …j Uij WD where we also fixed i w.l.o.g. and therefore drop the factor N 1. The only term that does not cancel out in this difference is the difference of the potentials which we call Uij from now on. Substituting this in (4.17) yields
 à ' i D ' E i D ' E D ' E dt ˛j .t/ ŒUij ; qj Uij qj qj Uij D D D „ „
10 0* ' ' ' ' ' ' ' + * ' ' ' ' ' ' ' + 1 i .p q / .p q / Uij q .p q / .p q / q Uij .p q / .p q / j C j i C i j i C i i C i j j C j i C i @ „ ƒ‚ … „ ƒ‚ … „ ƒ‚ … „ ƒ‚ … „ ƒ‚ … „ ƒ‚ … A D 1 1 1 1 1 1 D „ D D D D D D i D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E . pj pi Uij qj pi pj qi Uij qj pi qj pi Uij qj pi qj qi Uij qj pi D C C C C D„ ' ' ' ' E D ' ' ' ' E D ' ' ' ' E pj pi Uij qj qi pj qi Uij qj qi qj qi Uij qj qi C C C D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E qj pi Uij pj pi qj qi Uij pj pi qj pi Uij qj pi qj qi Uij qj pi D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E qj pi Uij pj qj qj pi Uij qj qi qj qi Uij qj qi / D i D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E . pj qi Uij qj pi pj pi Uij qj pi pj pi Uij qj qi pj qi Uij qj qj D C C C D„' ' ' ' E D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E qj pi Uij pj qi qj pi Uij pj pi qj qi Uij pj pi qj qi Uij pj qi / (4.18)
' We now analyze the different terms to get a upper bound for dt ˛j .t/.
D ' ' ' ' E D ' ' ' ' E "exchange" i and j pj qi Uij qj pi qj pi Uij pj qi 0 (4.19) DD Since is symmetric under exchange of particles, one can rename in the second term the ith and jth particles to cancel the first term. For estimating the other terms of (4.18) it is helpful to note that each summand appears together ' with its complex conjugated. This follows immediately from the definition of qj (cf. definition 4.1). Thus, since we are looking for a upper bound for the absolute value of (4.18) we can neglect the complex conjugated summands. Therefore (4.18) reduces by taking the absolute value to
 à ' 1 D ' ' ' ' E D ' ' ' ' E D ' ' ' ' E dt ˛j .t/ pj pi Uij qj pi pj pi Uij qj qi pj qi Uij qj qj (4.20) j j D C C „ Hence there are only three terms left. Next, we want to estimate the term
D ' ' ' ' E pj pi Uij qj pi : (4.21)
' ' Therefore we first focus ourselves on pi Uij pi since this will be the important part.
 2 à ' ' 2 Gm 2 1 pi Uij pi '.xi / '.xi / '.xj / Gm '.xi / '.xi / D j ih j j j xj xi xj j ih D 2 j j 2 Gm '.xi / '.xi / '.xj / '.xi / '.xi / D j ih j j j xj j ih p' p' p' 2 1 i i i Gm '.xi / '.xi / '.xi / '.xi / D 0 (4.22) j i h j xi xj j ih D „ j ƒ‚ j … R 1 2 '.xi / dxi xi xj D j j j j 1 2 '.xj / D xj j j
11 where we used that the discrete convolution in the last line becomes a usual convolution by taking the limit N . ! 1 From this computation it is clear that (4.21) vanishes since qj and pi commute. For this term to vanish it was essential that we had scaled (4.1) in the right way. We remark also that only the NSE yields the term vanishing. This fact can be regarded as a first hint that the NSE is the right effective equation for the microscopic system described by (2.6) resp. (4.1). The next term of (4.18) we want to estimate is
D ' ' ' ' E pj pi Uij qj qi : (4.23)
Splitting Uij yields ! D E Â 1 Ã 1 p' q' 0 ' ' ' ' 2 ' ' ' ' ' ' ' ' i i D pj pi Uij qj qi Gm pj pi '.xj / qj qi pj pi qj qi D xj xi xj D j j 2 ' ' 1 ' ' Gm pj pi qj qi : (4.24) D xi xj j j In the last step we have used that the potential of the Newton-Schrödinger equation depends "only th 4 ' ' on the j particle" and we therefore can pull the qi to the pi through it. This yields the term with the Newton-Schrödinger potential vanish since these two projectors are orthogonal to each other. Next, we sum all possible i and drop the factor N 1 and this leads by the Cauchy-Schwarz inequality (CS) to:
* + CS 2 ' ' 1 ' ' 2 1 X ' ' 1 ' ' Gm pj pi qj qi Gm ; pj pi qi qj xi xj D N 1 xi xj Ä j j i j j j „¤ ƒ‚ … ! WD 2 1 ' (4.10) 2 Gm ! q Gm ! 2 p˛ (4.25) Ä N 1k kk j k D k k j j Computing the norm squared of ! yields * + X ' ' 1 ' ' 1 ' ' 2 ! pj pi qi qk pj pk 2 xi xj xk xj k k D i j k D ¤ ¤ j j j j * + * X ' ' 1 ' ' 1 ' ' + X ' ' 1 ' 1 ' ' p p q p p pj pi qi qk pj pk j i i j i xi xj xk xj xi xj xi xj i j k D i j C ¤ ¤ j j j j D ¤ j j j j i k ¤ * + * X ' ' ' 1 1 ' ' ' + ' X ' ' 1 ' 1 ' ' q op 1 p p q p p qk pj pi pj pk qi k i k Ä j i i j i xi xj xk xj xi xj xi xj i j k D i j C ¤ ¤ j j j j CSÄ ¤ j j j j k i ¤
4Of course, the potential depends implicitly on all particles via the convolution (cf. the discussion following in section 5) but it is formally evaluated on the j th particle.
12 * + * X ' ' 1 1 ' ' + ' X ' ' 1 ' ' pm op 1 p p p p ' pi pj pj pk ' k k Ä i j 2 j i q xi xj xk xj q xi xj k i j k i Ä i j C k k ¤ ¤ j j j j k k CSÄ ¤ j j „ ƒ‚ … k i „ ƒ‚ … p˛ ¤ p˛ D D 1 1 1 ' ' 2 ' ' (4.26) .N 1/ pj 2 pj ˛.N N 1/ pj pj Ä xi xj C xi xj xk xj j j op j j j j op „ ƒ‚ … „ ƒ‚ … I K WD WD where we have used that the operator norm of an arbitrary projector is less than or equal to 1. Next, we would like to bound I and K from the top. 1 p 3 p 3 The difficulty thereby is however that x is not in L .R / for any p. But it belongs to L .R / 3 C L1.R / p < 3, i.e. the following holds: 8  à  à 1 p 3 1 3 0 < ı < L .R / r ı L1.R / r > ı : (4.27) 8 1 W r 2 8 Ä ^ r 2 8
Hence one can split the potential into two parts 8 8 1 1 < xi xj ı < xi xj > ı xi xj xi xj fı j j 8 j j Ä and gı j j 8 j j (4.28) WD :0 else WD :0 else
1 3 2 3 3 1 Clearly fı L .R / L .R / and gı L1.R / as well as fı gı xi xj holds. 2 \ 2 C D j j In order to determine the optimal value of ı we shortly regard ı as a dimensionless parameter 1 R ı 2 and will restore the unit afterwards. We note that gı ı . Moreover fı 1 4 0 rdr 2ı 1 5 k k D k k D D holds. By putting these expressions for the norms fı 1 and gı equal we get an optimal value k k k k1 of ı 1 ıopt .2/ 4 : (4.29) D
This is thus the value at which we cut the potential. Plugging ıopt into fı 1 and gı and restoring k k k k1 the units yields
1 p 1 4 1 f 1 fıopt 1 2 x g gıopt .2/ x (4.30) k k WD k k D k k1 WD k k1 D
1 1 where the squared bracket Œx denotes the unit of x , i.e. the inverse of the unit in which distances and coordinates are measured. 3 Furthermore, we will use the assumption that '.xj / L1.R / (cf. 4.1), i.e. 2
' ess sup '.xj / Dj < : (4.31) xj DW 1
1 5 1 R 2 p p 3 For the computation of fı 1 we used that p 4 01 s ds r R / (cf. [22]). k k k r k D 8 2
13 Plugging all that into I and using the triangle inequality as well as Hölder’s inequality (HI) yields
1 I '.xj / '.xj / 2 '.xj / '.xj / D j ih j xi xj j ih j Ä j j op HI 2 2 '.xj / '.xj / f '.xj / '.xj / g '.xj / '.xj / Ä j i h j j i C h j j i h j Ä 0 1
B C Á 2 B 2 2 2 2C 2 ' 2 1 (4.32) '.xj / B f 1 '.xj / g '.xj / 1C '.xj / 4 Dj 2 x : Ä j i@ „ƒ‚…k k k„ ƒ‚ k1… C„ƒ‚… k k1 k„ ƒ‚ k…Ah j Ä C 2 1 2 ' 2 1 2 1 4 Œx D 2Œx D D Ä j D
The same bound holds for K since we can use the same partition of the potential for both the ith and the kth particle due to the symmetry of the wave function under exchange of particles.
1 1 K '.xj / '.xj / '.xj / '.xj / D j ih j xi xj xk xj j ih j Ä j j j j op HI 2 2 '.xj / '.xj / f '.xj / '.xj / g '.xj / '.xj / Ä j i h j j i C h j j i h j Ä 2 ' 2 Á 12 4 D 2 x (4.33) Ä Ä j C Returning to (4.26) this leads to
2 ' 2 Á 12 2 ' 2 Á 12 ! .N 1/ 2D p2 x ˛.N N 1/ 2D p2 x k k2 Ä j C C j C Ä 0 1 B C B 2 N 1 C 2 ' 2 Á 12 B.N 1/.˛ C 4 D 2 x : (4.34) Ä B C N 2 1C j C @ „ ƒ‚ …A 1 N 1 D C Plugging this bound into (4.25) yields an upper bound for the absolute value of (4.23)
(4.25) (4.34) D ' ' ' ' E (4.24) 2 ' ' 1 ' ' 2 1 pj pi Uij qj qi Gm pj pi qj qi Gm ! 2p˛ j j D xi xj Ä N 1k k Ä j j s   Ãà conv 2 1 1 2 1 2 ' 2 Á Gm x ˛ .N 1/ ˛ 4 Dj 2 Ä N 1 C N 1 C AGMÄ C q  à 2 11 1 2 ' 2 1 Gm x .N 1/ 4 D 2 ˛ Ä 2 N 1 j C C N 1 Ä C q 2 42D' 2  à 2 1 j 1 Gm x C ˛ : (4.35) Ä 2 C N
We used in the step between the second and the third row the convexity of the square root (conv) pa b pa pb as well as the arithmetic-geometric mean inequality (AGM) pab a b (both C Ä C Ä C2 valid for any a; b > 0).
14 The last summand of (4.20) we have to bound is
D ' ' ' ' E pj qi Uij qj qi :
By the Cauchy-Schwarz inequality we determine
D ' ' ' ' E CS ' ' ' ' ' ' pj qi Uij qj qi qi 2 pj Uij op qj op qi 2 pj Uij op˛i (4.36) Ä k k k k k k k k Ä k k „ ƒ‚ … „ ƒ‚ … „ ƒ‚ … p˛' 1 p˛' D i Ä D i
' 2 Computing p Uij yields k j kop  Ã2 ' 2 2 4 ' 1 2 1 ' pj Uij op G m pj '.xj / pj op k k D k xj j j xi xj k Ä j j  Ã2 2 4 1 2 G m . '.xj / '.xj / '.xj / '.xj / '.xj / Ä j i h jxj j j j ih jC „ ƒ‚ … L WD 1 2 1 (4.37) '.xj / '.xj / 2 '.xj / '.xj / / x C j i h j xi xj j ih j „ j ƒ‚ j … (4.32) 2 42D' 2 Ä j C where we recognize that the second summand is exactly the same as I which we already have estimated in (4.32). We now have to find a bound for the convolution term L. The distributivity of the convolution 1 allows us to split the convolution recalling that fı gı (cf. (4.28)). We can then use Young’s xi xj 1 1C D 1j j inequality (YI) a b p a q b r where 1 . k k Ä k k k k q C r D C p