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Level dynamics of a non-equilibrium adiabatically evolving system using the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy

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

Published Oct 7, 2016• 0 citations
OpenAlex

Abstract

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).

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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 $1/N$, where $N$ is the number of the ``Pechukas gas particles'' (i.e., energy levels in the system).

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•Dec 3, 2017•0 citations
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).
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).
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].
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.
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.
We establish a theoretical framework for exploring the quantum dynamics of finite ultracold bosonic ensembles based on the Born-Bogoliubov-Green-Kirkwood-Yvon (BBGKY) hierarchy of equations of motion for few-particle reduced density matrices (RDMs). The theory applies to zero as well as low temperatures and is formulated in a highly efficient way by utilizing dynamically optimized single-particle basis states and representing the RDMs in terms of permanents with respect to those. An energy, RDM compatibility and symmetry conserving closure approximation is developed on the basis of a recursively formulated cluster expansion for these finite systems. In order to enforce necessary representability conditions, two novel, minimal-invasive and energy-conserving correction algorithms are proposed, involving the dynamical purification of the solution of the truncated BBGKY hierarchy and the correction of the equations of motion themselves, respectively. For gaining conceptual insights, the impact of two-particle correlations on the dynamical quantum depletion is studied analytically. We apply this theoretical framework to both a tunneling and an interaction-quench scenario. Due to our efficient formulation of the theory, we can reach truncation orders as large as twelve and thereby systematically study the impact of the truncation order on the results. While the short-time dynamics is found to be excellently described with controllable accuracy, significant deviations occur on a longer time-scale in sufficiently far off-equilibrium situations. Theses deviations are accompanied by exponential-like instabilities leading to unphysical results. The phenomenology of these instabilities is investigated in detail and we show that the minimal-invasive correction algorithm of the equation of motion can indeed stabilize the BBGKY hierarchy truncated at the second order.
We establish a theoretical framework for the exploration of the quantum dynamics of finite ultracold bosonic ensembles based on the Born-Bogoliubov-Green-Kirkwood-Yvon (BBGKY) hierarchy for equations of motion for few-particle reduced density matrices (RDMs). The theory applies to zero as well as low temperatures and is formulated in a highly efficient way by utilizing dynamically optimized single-particle basis states and representing the RDMs in terms of permanents with respect to those. An energy, RDM compatibility and, if applicable, symmetry conserving closure approximation is developed on the basis of a cluster expansion for these finite systems, using suitably normalized RDMs and symmetrization operators. The underlying cluster expansion is formulated recursively by means of super-operators, which allows for going to large truncation orders. In order to enforce necessary representability conditions, two novel, minimal-invasive and energy-conserving correction algorithms are proposed, involving the dynamical purification of the solution of the truncated BBGKY hierarchy and the correction of the equations of motion themselves, respectively. For gaining conceptual insights, the impact of two-particle correlations on the dynamical quantum depletion is studied analytically. The theoretical framework provided here is extensively applied and evaluated in our immediate follow-up work [1], involving truncation orders as large as twelve.