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arXiv:1705.04566 · Contributions to Plasma Physics

Time‐reversal invariance of quantum kinetic equations II: Density operator formalism

M. Bönitz, Miriam Scharnke, Niclas Schlünzen

Published May 28, 2018• 14 citations
arXivHTMLPDF

Abstract

Time‐reversal symmetry is a fundamental property of many quantum mechanical systems. The relation between statistical physics and time reversal is subtle, and not all statistical theories conserve this particular symmetry—most notably, hydrodynamic equations and kinetic equations such as the Boltzmann equation. Here, we consider quantum kinetic generalizations of the Boltzmann equation using the method of reduced density operators, leading to the quantum generalization of the Bogolyubov‐Born‐Green‐Kirkwood‐Yvon (BBGKY) hierarchy. We demonstrate that all commonly used approximations, including Vlasov; Hartree‐Fock; and the non‐Markovian generalizations of the Landau, T‐matrix, and Lenard‐Balescu equations, are originally time‐reversal invariant, and we formulate a general criterion for time reversibility of approximations to the quantum BBGKY hierarchy. Finally, we illustrate, through the example of the Born approximation, how irreversibility is introduced into quantum kinetic theory via the Markov limit, making the connection with the standard Boltzmann equation. This paper is a complement to paper I (Scharnke et al., J. Math. Phys., 2017, 58, 061903), where the time‐reversal invariance of quantum kinetic equations was analysed in the frame of the independent non‐equilibrium Green functions formalism.

DOI
10.1002/ctpp.201700052

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Time‐reversal symmetry is a fundamental property of many quantum mechanical systems. The relation between statistical physics and time reversal is subtle, and not all statistical theories conserve this particular symmetry—most notably, hydrodynamic equations and kinetic equations such as the Boltzmann equation. Here, we consider quantum kinetic generalizations of the Boltzmann equation using the method of reduced density operators, leading to the quantum generalization of the Bogolyubov‐Born‐Green‐Kirkwood‐Yvon (BBGKY) hierarchy. We demonstrate that all commonly used approximations, including Vlasov; Hartree‐Fock; and the non‐Markovian generalizations of the Landau, T‐matrix, and Lenard‐Balescu equations, are originally time‐reversal invariant, and we formulate a general criterion for time reversibility of approximations to the quantum BBGKY hierarchy. Finally, we illustrate, through the example of the Born approximation, how irreversibility is introduced into quantum kinetic theory via the Markov limit, making the connection with the standard Boltzmann equation. This paper is a complement to paper I (Scharnke et al., J. Math. Phys., 2017, 58, 061903), where the time‐reversal invariance of quantum kinetic equations was analysed in the frame of the independent non‐equilibrium Green functions formalism.
Time reversal symmetry is a fundamental property of many quantum mechanical systems. The relation between statistical physics and time reversal is subtle and not all statistical theories conserve this particular symmetry, most notably hydrodynamic equations and kinetic equations such as the Boltzmann equation. In this article, it is shown analytically that quantum kinetic generalizations of the Boltzmann equation that are derived using the nonequilibrium Green functions formalism as well as all approximations that stem from Φ-derivable self-energies are time reversal invariant.
We review a non-relativistic current algebra symmetry approach to constructing the Bogolubov generating functional of many-particle distribution functions and apply it to description of invariantly reduced Hamiltonian systems of the Boltzmann type kinetic equations, related to naturally imposed constraints on many-particle correlation functions. As an interesting example of deriving Vlasov type kinetic equations, we considered a quantum-mechanical model of spinless particles with delta-type interaction, having applications for describing so called Benney-type hydrodynamical praticle flows. We also review new results on a special class of dynamical systems of Boltzmann–Bogolubov and Boltzmann–Vlasov type on infinite dimensional functional manifolds modeling kinetic processes in many-particle media. Based on algebraic properties of the canonical quantum symmetry current algebra and its functional representations, we succeeded in dual analysis of the infinite Bogolubov hierarchy of many-particle distribution functions and their Hamiltonian structure. Moreover, we proposed a new approach to invariant reduction of the Bogolubov hierarchy on a suitably chosen correlation function constraint and deduction of the related modified Boltzmann–Bogolubov kinetic equations on a finite set of multi-particle distribution functions. There are also presented results of application of devised methods to describing kinetic properties of a many-particle system with an adsorbent surface, in particular, the corresponding kinetic equation for the occupation density distribution function is derived.
The quantum Boltzmann equation (QBE), originally formulated as the quantum extension of Boltzmann’s classical transport theory by Uehling and Uhlenbeck and subsequently developed within the nonequilibrium Green-function formalisms of Kadanoff–Baym and Keldysh, provides the central kinetic framework for describing relaxation and transport in weakly interacting quantum many-body systems. Although its formal structure is well established, conventional derivations often obscure the microscopic equivalence between operator and nonequilibrium Green-function approaches. Wick factorization is typically applied without explicitly enumerating real-time contractions, while Green-function treatments encode the same physics in Born-level self-energies that conceal their operator origin. In this paper, we present a pedagogical microscopic derivation of the quantum Boltzmann equation that makes this equivalence fully explicit. Starting from the ladder-operator formulation, we enumerate all fifteen Wick pairings of the second-order six-field correlator, identifying three Hartree–Fock contributions and twelve real-time Born scattering channels generated by a quartic, number-conserving interaction Hamiltonian. We then establish a one-to-one correspondence between these twelve operator contractions and the Keldysh components of the second-order Born self-energy, demonstrating explicitly how the Uehling–Uhlenbeck collision integral emerges after Wigner transformation and quasiparticle projection. Under controlled Born–Markov and quasiparticle approximations, this work offers a transparent synthesis of operator and Green-function formulations, and clarifies how kinetic fluctuations can be understood as emergent under coarse-graining.
From the quantum kinetic equation of Bogoliubov, Gurov, Born, and Green, the equations of motion for macroscopic variables are examined in many different ways. First, in the configuration space a hierarchy of generalized fluid-dynamical equations can be obtained by taking the appropriate limits of the quantum kinetic equation. The resultant equations of continuity, of momentum, and of energy are similar in form to those one encounters in classical fluid dynamics with the exception of additional terms proportional to ${\ensuremath{\hbar}}^{2}$ Secondly, the quantum kinetic equation is examined in phase space. The same set of equations of continuity, of momentum, and of energy can be derived by taking the first three moments of the quantum kinetic equation. The exact results we obtained are utilized to form the starting point for many simplifying approximations for the investigation of the dynamics of quantum many-body systems such as the elastic response limit, the hydrodynamical limit, Landau's Fermi-liquid theory, and finally the time-dependent Hartree-Fock and the multideterminant time-dependent Hartree-Fock approximations. The fact that all these different dynamical descriptions can be traced to a common origin provides a unifying viewpoint to the present approach with the quantum kinetic equation.NUCLEAR STRUCTURE Dynamics of nuclear fluid, quantum kinetic equation, and generalized fluid-dynamical equation. Elastic response, hydrodynamical limit, Landau's Fermi-liquid theory, time-dependent Hartree-Fock approximation, and multideterminant time-dependent Hartree-Fock approximation.
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.
The hierarchy of the equations of motion for the reduced density matrices in quantum statistical mechanics is solved and the (cumulant) reduced density matrices at a time t are expressed in terms of those at an earlier time t0. Diagrams are introduced to express the results. With the aid of the technique of partial summations, the general term in the kinetic equation for the one-particle reduced density matrix or the generalized Boltzmann equation in quantum statistical mechanics is obtained. The equation is non-Markovian. A method of reducing the equation to Markovian is sketched.