Bound-State Solutions of Dirac Equation Plan of the Lecture
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Lecture 3 Bound-state solutions of Dirac equation Plan of the lecture • Few comments about Dirac equation • Free- and bound-state solutions • Dirac’s spectroscopic notations – Integrals of motion – Parity of states • Energy levels of the bound-state Dirac’s particle • Structure of Dirac’s wavefunction • Radial components of the Dirac’s wavefunction Four-vectors In the relativistic world it is more convenient to work with four-vectors: Contravariant vectors Covariant vectors 휇 푥 = 푡, 푥, 푦, 푧 푥휇 = 푡, −푥, −푦, −푧 휕 휕 휕 휕 휕 휕 휕 휕 휕휇 = , − , − , − 휕 = , , , 휕푡 휕푥 휕푦 휕푧 휇 휕푡 휕푥 휕푦 휕푧 휇 푝 = 퐸, 푝푥, 푝푦, 푝푧 푝휇 = 퐸, −푝푥, −푝푦, −푝푧 Lorentz transformation 푥′휇 = 푎휈 푥휇 ′ 휈 휇 푥휇 = 푎휇 푥휇 휈 휈 훾 −훾훽 0 0 훾 훾훽 0 0 −훾훽 훾 훾훽 훾 0 0 푎휈 = 0 0 푎휈 = 휇 0 0 1 0 휇 0 0 1 0 0 0 0 1 0 0 0 1 Klein-Gordon equation Based on the relativistic energy-mass equation: 퐸2 = 푝ҧ2 + 푚2 One can derive Klein-Gordon equation for scalar (zero-spin) relativistic particles: Oscar Klein 휇 2 휕 휕휇 + 푚 휑 푥 = 0 By introducing d'Alembert operator: 휕2 휕휇휕 =⊡= − 휵2 휇 휕푡2 We can re-write Klein-Gordon equation as: ⊡ + 푚2 휑 푥 = 0 Klein-Gordon equation We can derive Klein-Gordon equation for scalar (zero-spin) relativistic particles: 휇 2 휕 휕휇 + 푚 휑 푥 = 0 Free-particle solutions of this equation: Oscar Klein 휑 푥 = 푁 푒−푖 푝푥 = 푁 푒−푖퐸푡+푖풑풓 Allow particles with both positive and negative energy: 퐸 = ± 풑2 + 푚2 And with positive and negative probability density: 푗0 = 2 푁 2 퐸 How do we understand negative-energy solutions? And what is much worse, the negative probability density? Dirac equation We can re-write Klein-Gordon equation yet in the other form: 휇 2 휇 2 휕 휕휇 + 푚 휑 푥 = 0 푝 푝휇 − 푚 = 0 The idea of Dirac was to linearize the Klein-Gordon equation: 휇 2 휇 휈 푝 푝휇 − 푚 = 훾 푝휇 − 푚 훽 푝휈 + 푚 = 0 By comparing both sides of this equation (and only!!!) one can find that: 1 0 0 0 0 −1 0 0 휇 휇 휇 휈 푔 = 훾 = 훽 and 훾 , 훾 = 2푔휇휈 with 휇휈 0 0 −1 0 0 0 0 −1 Plan of the lecture • Few comments about Dirac equation • Free- and bound-state solutions • Dirac’s spectroscopic notations – Integrals of motion – Parity of states • Energy levels of the bound-state Dirac’s particle • Structure of Dirac’s wavefunction • Radial components of the Dirac’s wavefunction Dirac equation for bound electron • Stationary Dirac equation reads (let us add potential): 2 icα V(r) mec 0 (r) E (r) • Its solutions depend, of course, on the particular form of V (r) Ze2 Free particle V(r) 0 Particle in Coulomb V (r) (discussed before) potential r E ( p) m c2 e Positive continuum + mc2 + mc2 Bound (discrete) states! How0 to describe (characterize) discrete bound0 state of Dirac spectrum? - mcBy2 the way: how did we characterize Schr- mc2ödinger spectrum? 2 Negative continuum E ( p) mec Schrödinger equation: Quantum numbers • One needs three quantum numbers (r) (r,,) R (r)Y (,) to define the state of hydrogen nl lml (hudrogen-like) atom: • n = 1, 2, 3… (principal) • l = 0, … n-1 (orbital) Electron is free 0 (au) Energy • ml = -l, …. +l (magnetic) Electron is bound to ion ……….. ……….. 3s (n=3, l=0) 3p (n=3, l=1) 3d (n=3, l=2) -1/18 • The energy depends only on the 2s (n=2, l=0) 2p (n=2, l=1) principal quantum number: -1/8 Z 2 E 0 n 2n2 • i.e. in nonrelativistic theory the states are degenerate (l, m)! -1/2 1s (n=1, l=0) Can we use the same set of quantum numbers (n,l,m) for Dirac spectrum? Constants on motion (1) • For the description of the (stable) atom we need to have a set of quantum numbers which do not change as time evolves. • Let us take some observable (operator which represents some physical quantity) Q and its expectation value in some quantum state: Q Qˆ • To find the general requirement for Q being not dependent on time, let us first derive the (matrix form of) Heisenberg equation of motion: d d i Qˆ Q Qˆ Hˆ ,Qˆ dt dt t Constants on motion (2) • To find the general requirement for being not dependent on time, let us first derive the (matrix form of) Heisenberg equation of motion: • Therefore, if H ˆ , Q ˆ 0 and Q ˆ do not depend (directly) on time, we find: Q d Q 0 dt d d i Qˆ Q Qˆ Hˆ ,Qˆ dt dt t • Expectation value q Q does not change with time and provides us a “good quantum number” for the description of quantum system! Non-relativistic hydrogen • Schrödinger Hamiltonian (r )in spherical (r,, )coordinates: R (r)Y (,) nl lml 2 Ze2 2 1 Lˆ2 Ze2 Hˆ 2 r 2 2 2 2m r 2m r r r 2mr r • Its eigenfunctions: ˆ ˆ ˆ2 ˆ2 ˆ ˆ ˆ ˆ2 ˆ • Operators H , L Z , L commute with each other: [L , H] 0, [Lz , H] 0,[L , Lz ] 0 ˆ2 2 ˆ ˆ • And: L (r) l(l 1) (r), Lz (r) ml (r), H (r) E (r) (n, l, m) are good quantum numbers. … but only in the nonrelativistic case! Relativistic hydrogen 2 Ze2 2 ˆ 2 ˆ Ze 2 H S H icα m c 2m r D r e 0 (r) R (r)Y (,) () (r) R (r)Y (,) nlml sms nl lml sms nlml nl lml • In Dirac’s theory, however, neither the components of L nor L2 commute with Hamiltonian. Instead, one can show that: [Lˆ, Hˆ ] icα p ˆ ˆ σ 0 • The same is true for the spin operator: S 2 0 σˆ [Sˆ, Hˆ ] icα p Spin-orbit interaction (1) ✓ Please, remind yourself discussion from the last ✓ Let us move to the rest frame of electron lecture concerning magnetic dipole moment (we are riding with electron) In classical electrodynamics: | | I A current vector area of the current In the rest frame of electron there is a loop magnetic filed caused by the relative motion of the nucleus (magnetic field of current loop)! q 2 qv 2 q | | I A r r L I T 2r 2m B 0 2r In quantum mechanics, where for electron: q=-e B Ze Zev I e T 2r μˆ Lˆ / , l 0 0 2m Ze e mvr Bohr magneton 2r 2 m Spin-orbit interaction (2) In the rest frame of electron there is a magnetic filed caused by the relative motion of the nucleus (magnetic field of current loop)! B ZeL B 0 (r) L 4r 3m • Electron has spin (intrinsic moment) and, hence, spin magnetic moment: ˆ μˆ s gs 0 S / • Which interacts with external field as: ˆ ˆ ˆ H μˆ s B (r) L S Spin-orbit term! (A more rigorous derivation requires detailed analysis of Dirac equation.) Spin-orbit interaction (3) • Coming back to Dirac equation for the hydrogen-like ions: Ze2 2 icα mec 0 (r) E (r) r ˆ ' ˆ ˆ • Which should include the spin-orbit term: H μˆ s B (r) L S Let us recall commutation relations for the operators L and S: [Lˆ, Hˆ ] icα p This relations indicate that we the form of “good” operator (the one which commutes) with the Hamiltonian: J L S [Sˆ, Hˆ ] icα p Spin-orbit interaction (3) • Coming back to Dirac equation for the hydrogen-like ions: Ze2 2 icα mec 0 (r) E (r) r ' • Which should include the spin-orbit term: Hˆ μˆ B (r) Lˆ Sˆ (r) sR (r)Y (,) () nlml sms nl lml sms Now it becomes clear why the wavefunction is not adequate for Dirac’s case and, hence, l, ml, s, ms are “bad” quantum numbers. The reason is: L ˆ S ˆ does not commute with Lz or Sz. What to do? Obviously: we have to build from L and S operator which commutes with LS. Total angular momentum • We shall introduce the total angular momentum : S Total angular momentum J Orbital angular momentum Spin L 2 • Operators J and Jz commutes with LS and with Dirac Hamiltonian! Jˆ is a “right” observable for the Dirac equation! • Since like any other angular momentum it satisfies: Jˆ 2 j( j 1)2 Jˆ m jmj jmj z jmj j jmj Now we can describe theJ state Lof relativisticS hydrogen atom (ion) by set of quantum numbers: n, j, mj … and by parity. Parity operator • Solutions of the Dirac (as well as Schrödinger) equation may be separated on the basis of their response to spatial coordinate inversion. • Parity operator: 2 2 x x r r ˆ 2 Ze H S ˆ ˆ Pˆr Pˆ 2m r Pr P y y z z Cartesian coordinates Spherical coordinates • For the Schrödinger case the parity operator commutes with Hamiltonian: where Parity is a good 푃, 퐻푠 = 0 quantum number! • Hence, solutions of Schrödinger equation are - at the same time – eigenfunctions of permutation operator: Pˆ (r) (r) (r) nlml nlml nlml Parity operator • For the Schrödinger case the parity operator commutes with Hamiltonian: Parity is a good 푃, 퐻푠 = 0 where quantum number! 2 Ze2 H•ˆ Hence, solutions2 of Schrödinger equation are - at the same time – S eigenfunctions2m rof permutation operator: • How to find eigenvalue ? Pˆ 2 (r) Pˆ (r) 2 (r) nlml nlml nlml Solutions of Schrödinger equation are either having 1 even or odd parity! Why we usually don’t use as an additional quantum number? • By employing properties of spherical harmonics we may find: Pˆ (r) PˆR (r)Y (,) R (r)Y ( , ) (1)l R (r)Y (,) (1)l (r) nlml nl lml nl lml nl lml nlml Pˆ (r) (r) (r) Orbital momentum l definesnlml also parity!nlml How it is fornlm Diracl case? Parity of Dirac states • Solutions of the Dirac (as well as Schrödinger) equation may be separated on the basis of their response to spatial coordinate inversion.