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arXiv:1610.02380 · Physical Review A

Bogoliubov-Born-Green-Kirkwood-Yvon chain and kinetic equations for the level dynamics in an externally perturbed quantum system

Mumnuna A. Qureshi, Johnny Q. Zhong, Joseph J. Betouras, Alexandre M. Zagoskin

Published Mar 22, 2017• 4 citations
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Abstract

Theoretical description and simulation of large quantum coherent systems out of equilibrium remains a daunting task. Here we are developing an approach to it based on the Pechukas-Yukawa formalism, which is especially convenient in the case of an adiabatically slow external perturbation, though it is not restricted to adiabatic systems. In this formalism the dynamics of energy levels in an externally perturbed quantum system as a function of the perturbation parameter is mapped on that of a fictitious one-dimensional classical gas of particles with cubic repulsion. Equilibrium statistical mechanics of this Pechukas gas allows us to reproduce the random matrix theory of energy levels. In the present work, we develop the nonequilibrium statistical mechanics of the Pechukas gas, starting with the derivation of the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) chain of equations for the appropriate generalized distribution functions. Sets of approximate kinetic equations can be consistently obtained by breaking this chain at a particular point (i.e., approximating all higher-order distribution functions by the products of the lower-order ones). When complemented by the equations for the level occupation numbers and interlevel transition amplitudes, they allow us to describe the nonequilibrium evolution of the quantum state of the system, which can describe better a large quantum coherent system than the currently used approaches. In particular, we find that corrections to the factorized approximation of the distribution function scale as $1/N$, where $N$ is the number of the ``Pechukas gas particles'' (i.e., energy levels in the system).

DOI
10.1103/physreva.95.032126

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Theoretical description and simulation of large quantum coherent systems out of equilibrium remains a daunting task. Here we are developing an approach to it based on the Pechukas-Yukawa formalism, which is especially convenient in the case of an adiabatically slow external perturbation, though it is not restricted to adiabatic systems. In this formalism the dynamics of energy levels in an externally perturbed quantum system as a function of the perturbation parameter is mapped on that of a fictitious one-dimensional classical gas of particles with cubic repulsion. Equilibrium statistical mechanics of this Pechukas gas allows us to reproduce the random matrix theory of energy levels. In the present work, we develop the nonequilibrium statistical mechanics of the Pechukas gas, starting with the derivation of the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) chain of equations for the appropriate generalized distribution functions. Sets of approximate kinetic equations can be consistently obtained by breaking this chain at a particular point (i.e., approximating all higher-order distribution functions by the products of the lower-order ones). When complemented by the equations for the level occupation numbers and interlevel transition amplitudes, they allow us to describe the nonequilibrium evolution of the quantum state of the system, which can describe better a large quantum coherent system than the currently used approaches. In particular, we find that corrections to the factorized approximation of the distribution function scale as 1/N1/N1/N, where NNN is the number of the ``Pechukas gas particles'' (i.e., energy levels in the system).
Theoretical description and simulation of large quantum coherent systems out of equilibrium remains a daunting task. Here we are developing a new approach to it based on the Pechukas-Yukawa formalism, which is especially convenient in case of an adiabatically slow external perturbation. In this formalism the dynamics of energy levels in an externally perturbed quantum system as a function of the perturbation parameter is mapped on that of a fictitious one-dimensional classical gas of with cubic repulsion. Equilibrium statistical mechanics of this gas allows to reproduce the random matrix theory of energy levels. In the present work, we develop the nonequilibrium statistical mechanics of the gas, starting with the derivation of the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) chain of equations for the appropriate generalized distribution functions. Sets of approximate kinetic equations can be consistently obtained by breaking this chain at a particular point (i.e. approximating all higher-order distribution functions by the products of the lower-order ones). When complemented by the equations for the level occupation numbers and inter-level transition amplitudes, they allow to describe the nonequilibrium evolution of the quantum state of the system, which can describe better a large quantum coherent system than the currently used approaches. In particular, we find that corrections to the factorized approximation of the distribution function scale as 1/N, where N is the number of the Pechukas gas particles (i.e. energy levels in the system).
An accurate description of the nonequilibrium dynamics of systems with coupled spin and bosonic degrees of freedom remains theoretically challenging, especially for large system sizes and in higher than one dimension. Phase-space methods such as the truncated Wigner approximation (TWA) have the advantage of being easily scalable and applicable to arbitrary dimensions. In this work we adapt the TWA to generic spin-boson models by making use of recently developed algorithms for discrete phase spaces [J. Schachenmayer, A. Pikovski, and A. M. Rey, Phys. Rev. X 5, 011022 (2015)]. Furthermore we go beyond the standard TWA approximation by applying a scheme based on the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy of equations to our coupled spin-boson model. This allows us, in principle, to study how systematically adding higher-order corrections improves the convergence of the method. To test various levels of approximation we study an exactly solvable spin-boson model, which is particularly relevant for trapped-ion arrays. Using TWA and its BBGKY extension we accurately reproduce the time evolution of a number of one- and two-point correlation functions in several dimensions and for an arbitrary number of bosonic modes.
The nonequilibrium description of quantum systems requires, for more than two or three particles, the use of a reduced description to be numerically tractable. Two possible approaches are based on either reduced density matrices or nonequilibrium Green functions (NEGF). Both concepts are formulated in terms of hierarchies of coupled equations—the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy for the reduced density operators and the Martin-Schwinger-hierarchy (MS) for the Green functions, respectively. In both cases, similar approximations are introduced to decouple the hierarchy, yet still many questions regarding the correspondence of both approaches remain open. Here we analyze this correspondence by studying the generalized Kadanoff–Baym ansatz (GKBA) that reduces the NEGF to a single-time theory. Starting from the BBGKY-hierarchy we present the approximations that are necessary to recover the GKBA result both, with Hartree-Fock propagators (HF-GKBA) and propagators in second Born approximation. To test the quality of the HF-GKBA, we study the dynamics of a 4-electron Hubbard nanocluster starting from a strong nonequilibrium initial state and compare to exact results and the Wang-Cassing approximation to the BBGKY hierarchy presented recently by Akbari et al. [1].
Time-resolved measurement techniques are opening a window on nonequilibrium quantum phenomena that is radically different from the traditional picture in the frequency domain. The simulation and interpretation of nonequilibrium dynamics are conspicuous challenges for theory. This paper presents an approach to quantum many-body dynamics that is based on a Hamiltonian formulation of the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy of equations of motion for reduced density matrices. These equations have an underlying symplectic structure, and we write them in the form of the classical Hamilton equations for canonically conjugate variables. Applying canonical perturbation theory or the Krylov-Bogoliubov averaging method to the resulting equations yields a systematic approximation scheme. The possibility of using memory-dependent functional approximations to close the Hamilton equations at a given level of the hierarchy is discussed. The geometric structure of the equations gives rise to reduced geometric phases that are observable even for noncyclic evolutions of the many-body state. The approach is applied to a finite Hubbard chain which undergoes a quench in on-site interaction energy UUU. Canonical perturbation theory, carried out to second order, fully captures the nontrivial real-time dynamics of the model, including resonance phenomena and the coupling of fast and slow variables.
In this article, we present a concise and self-contained introduction to nonequilibrium statistical mechanics with quantum field theory by considering an ensemble of interacting identical bosons or fermions as an example. Readers are assumed to be familiar with the Matsubara formalism of equilibrium statistical mechanics such as Feynman diagrams, the proper self-energy, and Dyson's equation. The aims are threefold: (i) to explain the fundamentals of nonequilibrium quantum field theory as simple as possible on the basis of the knowledge of the equilibrium counterpart; (ii) to elucidate the hierarchy in describing nonequilibrium systems from Dyson's equation on the Keldysh contour to the Navier-Stokes equation in fluid mechanics via quantum transport equations and the Boltzmann equation; (iii) to derive an expression of nonequilibrium entropy that evolves with time. In stage (i), we introduce nonequilibrium Green's function and the self-energy uniquely on the round-trip Keldysh contour, thereby avoiding possible confusions that may arise from defining multiple Green's functions at the very beginning. We try to present the Feynman rules for the perturbation expansion as simple as possible. In particular, we focus on the self-consistent perturbation expansion with the Luttinger-Ward thermodynamic functional, i.e., Baym's Phi-derivable approximation, which has a crucial property for nonequilibrium systems of obeying various conservation laws automatically. We also show how the two-particle correlations can be calculated within the Phi-derivable approximation, i.e., an issue of how to handle the "Bogoliubov-Born-Green-Kirkwood-Yvons (BBGKY) hierarchy".