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arXiv:1612.04619

Influence of initial correlations on evolution of correlation function of a subsystem interacting with a quantum field (heat bath) and polaron mobility

Victor F. Los

Published Dec 14, 2016• 0 citations
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Abstract

A regular approach to accounting for initial correlations, which allows to go beyond the unrealistic random phase (initial product state) approximation in deriving the evolution equations, is suggested. An exact homogeneous equation for a two-time equilibrium correlation function for the dynamical variables of a subsystem interacting with a boson field (heat bath) is obtained. No conventional approximation like RPA or Bogoliubov's principle of weakening of initial correlations is used. The obtained equation takes into account the initial correlations in the kernel governing its evolution. The solution to this equation is found in the second order of the kernel expansion in the electron-phonon interaction, which demonstrates that generally the initial correlations influence the correlation function's evolution in time. It is shown that this influence vanishes on a large timescale. The developed approach is applied to the Fröhlich polaron and the low-temperature polaron mobility (which was under a long-time debate) is found with a correction due to initial correlations.

DOI
10.48550/arxiv.1612.04619

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A regular approach to accounting for initial correlations, which allows to go beyond the unrealistic random phase (initial product state) approximation in deriving the evolution equations, is suggested. An exact homogeneous equation for a two-time equilibrium correlation function for the dynamical variables of a subsystem interacting with a boson field (heat bath) is obtained. No conventional approximation like RPA or Bogoliubov's principle of weakening of initial correlations is used. The obtained equation takes into account the initial correlations in the kernel governing its evolution. The solution to this equation is found in the second order of the kernel expansion in the electron-phonon interaction, which demonstrates that generally the initial correlations influence the correlation function's evolution in time. It is shown that this influence vanishes on a large timescale. The developed approach is applied to the Fröhlich polaron and the low-temperature polaron mobility (which was under a long-time debate) is found with a correction due to initial correlations.
A novel approach to accounting for the influence of initial system-bath correlations on the dynamics of an open quantum system, based on the conventional projection operator technique, is suggested. To avoid the difficulties of treating the initial correlations, the conventional Nakajima-Zwanzig inhomogeneous generalized master equations (GMEs) for a system's reduced statistical operator and correlation function are exactly converted into the homogeneous GMEs (HGMEs), which take into account the initial correlations in the kernel governing the evolution of these HGMEs. In the second order (Born) approximation in the system-bath interaction, the obtained HGMEs are local in time and valid at all timescales. They are further specialized for a realistic equilibrium Gibbs initial (at t=t0t=t_0t=t0​) system+bath state (for a system reduced statistical operator an external force at t>t0t>t_0t>t0​ is applied) and then for a bath of oscillators (Boson field). As an example, the evolution of a selected quantum oscillator (a localized mode) interacting with a Boson field (Fano-like model) is considered at different timescales. It is shown explicitly how the initial correlations influence the oscillator evolution process. In particular, it is shown that the equilibrium system's correlation function acquires at the large timescale the additional constant phase factor conditioned by survived initial system-bath correlations.
Abstract It is shown that the relevant part of an equilibrium two-time correlation function of operators related to a subsystem of S < N particles, selected from the whole system of N ≫ 1 quantum particles, obeys the exact completely closed (homogeneous) evolution equation. This equation differs from the conventional Nakajima–Zwanzig equation by the absence of the undesirable inhomogeneous term comprising all interparticle correlations at the initial time moment. The equation defines the subdynamics in a subspace of S selected particles and is obtained without any use of approximation like the Boltzmann ‘molecular chaos’, factorized initial state or Bogoliubov’s principle of weakening of initial correlations. In the second order in a small inter-particle interaction, this equation reduces to the Markovian evolution equation, which for a one-particle correlation function ( S = 1) takes the form of the linear generalized quantum Boltzmann-like equation for a relevant part of a correlation function (one particle momentum distribution function) with the additional terms conditioned by initial correlations taken into account. This equation makes it possible to obtain the solution for the corresponding one-particle correlation function, which is valid for all timescales and reveals the influence of initial correlations on the evolution in time process. On a large timescale t ≫ t cor ∼ ℏ / k B T (decoherence time), the initial correlations cease to influence the damping process and the evolution enters a kinetic stage. However, the factor related to initial correlations survives on the large timescale, and can contribute to the kinetic coefficients.
A projection operator is introduced, which exactly transforms the inhomogeneous Nakajima--Zwanzig generalized master equation for the relevant part of a system +bath statistical operator, containing the inhomogeneous irrelevant term comprising the initial corrrelations, into the homogeneous equation accounting for initial correlations in the kernel governing its evolution. No "molecular chaos"-like approximation has been used. The obtained equation is equivalent to completely closed (homogeneous) equation for the statistical operator of a system of interest interacting with a bath. In the Born approximation (weak system-bath interaction) this equation can be presented as the time-local Redfield-like equation with additional terms caused by initial correlations. As an application, a quantum oscillator, interacting with a Boson field and driven from a Gibbs initial equilibrium system+bath state by an external force, is considered. All terms determining the oscillator evolution over time are explicitly calculated at all timescales. It is shown, how the initial correlations influence the evolution process. It is also demonstrated, that at the large timescale this influence vanishes, and the evolution equation for the quantum oscillator statistical operator acquires the Lindblad form..
We consider the Fröhlich Hamiltonian with large coupling constant ααα. For initial data of Pekar product form with coherent phonon field and with the electron minimizing the corresponding energy, we provide a norm approximation of the evolution, valid up to times of order α2α^2α2. The approximation is given in terms of a Pekar product state, evolved through the Landau-Pekar equations, corrected by a Bogoliubov dynamics taking quantum fluctuations into account. This allows us to show that the Landau-Pekar equations approximately describe the evolution of the electron- and one-phonon reduced density matrices under the Fröhlich dynamics up to times of order α2α^2α2.
A quantum-classical approximation, capable of describing the evolution of open quantum systems well beyond the applicability limits of Redfield theory is suggested. The theory is based on the short lifetime of the quantum correlations between the quantum and the classical subsystem, caused by energy dispersion (per degree of freedom) of the canonical bath. The resulting quantum-classical approximation has the form of two auxiliary differential equations and fully accounts both for the arbitrary long memory of the heat reservoir and detailed balance. These equations allow direct solution in the time domain without constructing/diagonalizing Liouville space operators, and, in combination with molecular dynamics techniques to simulate bath dynamics, may be applied to quantum subsystems with a fairly large number of levels. A simple example of a two-level system, coupled to a single correlation time canonical bath, was considered to demonstrate different regimes of approaching the canonical equilibrium state.