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Physical Review C

Quantum extension of the Vlasov method

S. J. Lee

Published Aug 1, 1990• 7 citations
Publisher

Abstract

The quantum correction to the Vlasov equation is considered using the Wigner transform of the time-dependent Hartree-Fock equation without truncation in \ensuremath{\Elzxh} order. Decomposing the Wigner function in terms of test particles with the form factor in a phase space, quantum extension of the Vlasov equation determines the equation of motion of the test particle which follows classical dynamics. The discrimination between the quantum and classical limits is related to a density matrix condition which constrains the distribution of test particles.

DOI
10.1103/physrevc.42.610

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•Jan 1, 1963•0 citations
The quantum correction to the Vlasov equation is considered using the Wigner transform of the time-dependent Hartree-Fock equation without truncation in \ensuremath{\Elzxh} order. Decomposing the Wigner function in terms of test particles with the form factor in a phase space, quantum extension of the Vlasov equation determines the equation of motion of the test particle which follows classical dynamics. The discrimination between the quantum and classical limits is related to a density matrix condition which constrains the distribution of test particles.
We study the properties of the Wigner transform for arbitrary functions in L^2 for hermitian kernels like the so-called density matrices. And we introduce some limits of these transforms for sequences of functions in L^2 , limits that correspond to the semi-classical limit in Quantum Mechanics. The measures we obtain in this way, that we call Wigner measures, have various mathematical properties that we establish. In particular, we prove they satisfy, in linear situations (Schrödinger equations) or nonlinear ones (time-dependent Hartree equations), transport equations of Liouville or Vlasov type.
Recent progress in our understanding of quantum effects on the Brownian motion in an external potential is reviewed. This problem is ubiquitous in physics and chemistry, particularly in the context of decay of metastable states, for example, the reversal of the magnetization of a single domain ferromagnetic particle, kinetics of a superconducting tunnelling junction, etc. Emphasis is laid on the establishment of master equations describing the diffusion process in phase space analogous to the classical Fokker-Planck equation. In particular, it is shown how Wigner's [E. P. Wigner, Phys. Rev., 1932, 40, 749] method of obtaining quantum corrections to the classical equilibrium Maxwell-Boltzmann distribution may be extended to the dissipative non-equilibrium dynamics governing the quantum Brownian motion in an external potential V(x), yielding a master equation for the Wigner distribution function W(x,p,t) in phase space (x,p). The explicit form of the master equation so obtained contains quantum correction terms up to o(h(4)) and in the classical limit, h --> 0, reduces to the classical Klein-Kramers equation. For a quantum oscillator, the method yields an evolution equation coinciding in all respects with that of Agarwal [G. S. Agarwal, Phys. Rev. A, 1971, 4, 739]. In the high dissipation limit, the master equation reduces to a semi-classical Smoluchowski equation describing non-inertial quantum diffusion in configuration space. The Wigner function formulation of quantum Brownian motion is further illustrated by finding quantum corrections to the Kramers escape rate, which, in appropriate limits, reduce to those yielded via quantum generalizations of reaction rate theory.
Abstract This paper presents a comprehensive investigation of the problem of a harmonic oscillator with time-depending frequencies in the framework of the Vlasov theory and the Wigner function apparatus for quantum systems in the phase space. A new method is proposed to find an exact solution of this problem using a relation of the Vlasov equation chain with the Schrödinger equation and with the Moyal equation for the Wigner function. A method of averaging the energy function over the Wigner function in the phase space can be used to obtain time-dependent energy spectrum for a quantum system. The Vlasov equation solution can be represented in the form of characteristics satisfying the Hill equation. A particular case of the Hill equation, namely the Mathieu equation with unstable solutions, has been considered in details. An analysis of the dynamics of an unstable quantum system shows that the phase space square bounded with the Wigner function level line conserves in time, but the phase space square bounded with the energy function line increases. In this case the Vlasov equation characteristic is situated on the crosspoint of the Wigner function level line and the energy function line. This crosspoint moves in time with a trajectory that represents the unstable system dynamics. Each such trajectory has its own energy, and the averaging of these energies by the Wigner function results in time-dependent discreet energy spectrum for the whole system. An explicit expression has been obtained for the Wigner function of the 4th rank in the generalized phase space x , p , p ̇ , p ̈ .
Using the Wigner-Vlasov formalism, an exact three-dimensional solution of the Schr\"odinger equation for a scalar particle in an electromagnetic field is constructed. Electric and magnetic fields are nonuniform. According to the exact expression for the wave function, the search for two types of Wigner function is conducted. The first function is the usual Wigner function with a kinetic momentum. The second Wigner function is constructed on the basis of the Weyl-Stratonovich transform [Javanainen et al., Phys. Rev. A 35, 2791 (1987); Nedjalkov et al., Phys. Rev. B 99, 014423 (2019)]. It turns out that the second function, unlike the first one, has areas of negative values for wave functions with the Gaussian distribution (Hudson's theorem). An example of an electromagnetic quantum system described by a non-Gaussian wave function has successfully been found. The second Wigner function is positive over the whole phase space for the non-Gaussian wave function. This result is analogous to the Hudson theorem for the gauge invariant Wigner function. On the one hand, knowing the Wigner functions allows one to find the distribution of the mean momentum vector field and the energy spectrum of the quantum system. On the other hand, within the framework of the Wigner-Vlasov formalism, the mean momentum distribution and the magnitude of the energy are initially known. Consequently, the mean momentum distributions and energy values obtained according to the Wigner functions can be compared with the exact momentum distribution and energy values. This paper presents this comparison and describes the differences. The Vlasov-Moyal approximation of average acceleration flow has been built in phase space for a quantum system with an electromagnetic field. The obtained approximation makes it possible to cut the Vlasov chain off at the second equation and also to analyze the Boltzmann H-function evolution. By averaging the Vlasov-Moyal approximation over momentum space we can derive an expression for the electromagnetic force of the classical system. This averaging makes the high-order quantum terms disappear from the ``motion equation.''
By means of a quantum mechanical phase space distribution function introduced by von Roos, the Schroedinger equation for a non-relativistic system of N identical particles with scalar interactions is transformed into a quantum mechanical generalization of the Liouville equation, thereby formulating the problem in terms of a generalized density in phase space, a quantity of primary interest in most treatments of the corresponding classical system (or plasma). This transformation permits a parallel development of the theories of classical and quantum plasmas and thus allows the quantum many-body problem to be discussed virtually completely in classical terms. In particular, a kinetic theory of quantum plasmas is obtained by deriving the quantum analogue of the BBGKY hierarchy, and applying thereto approximation techniques similar to those of Rostocker and Rosenbluth, and Bogoliubov. The point of departure from similar previous studies based on the Wigner distribution function is that the proper exchange symmetry can be tractably introduced into the formalism. Attention is first focused on the Hartree and Hartree-Fock approximations, in which case the quantum BBGKY system reduces to a simple quantum generalization of the Vlasov equation. This equation is used to study the response of spatially homogeneous systems to weak external forces, and the associated problems of plasmon and spin-wave excitations. It is also used to derive the quantum and exchange corrected equations of inviscid hydrodynamical transport which are then applied to the problem of sound propagation in the degenerate electron gas. The second part of the study is concerned with the theory of the many-electron atom in the Hartree and Hartree-Fock approximations. The relevant quantum Vlasov equations lead naturally to a statistical theory of the atom which reduces to the Thomas-Fermi-Amaldi and Thomas Fermi models (respectively) as ħ → 0. For ħ ≠ 0, the quantum and exchange corrections to these models are simultaneously generated. The quantum hydrodynamical theory developed earlier is used to determine the influence of these corrections on the boundary conditions of the model, and a theory of the compressed atom is consequently obtained. Considered in somewhat less detail are the effects of non-zero temperature, net orbital angular momentum, relativity and correlations, as well as time dependent processes. The final part deals with the problem of the degenerate electron gas with a uniform neutralizing background. Going beyond the Hartree-Fock approximation, the pair functions for particles with parallel and anti-parallel spin are obtained by neglecting three particle correlations. From these functions, a quantum-mechanical collision integral is derived which differs from that obtained by Silin and Guernsey and conjectured by Wyld and Pines in that dynamical exchange effects are included. Also obtained from the pair function is an expression for the correlation which reduces in the high density limit to the result of Gell-Mann and Brueckner. At intermediate densities an additional term appears in the energy due to the screening of the exchange interaction by the dielectric properties of the medium. It is evaluated in the high density limit and found to be -0.151 r_s ln r_s Ryd/electron in marked disagreement with the corresponding value obtained by DuBois.