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Energy Conservation and the Correlation Quasi-Temperature in Open Quantum Dynamics

V. G. Morozov, V. V. Ignatyuk

Published Nov 30, 2018• 3 citations
Publisher

Abstract

The master equation for an open quantum system is derived in the weak-coupling approximation when the additional dynamical variable—the mean interaction energy—is included into the generic relevant statistical operator. This master equation is nonlocal in time and involves the “quasi-temperature”, which is a non- equilibrium state parameter conjugated thermodynamically to the mean interaction energy of the composite system. The evolution equation for the quasi-temperature is derived using the energy conservation law. Thus long-living dynamical correlations, which are associated with this conservation law and play an important role in transition to the Markovian regime and subsequent equilibration of the system, are properly taken into account.

DOI
10.3390/particles1010023

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The master equation for an open quantum system is derived in the weak-coupling approximation when the additional dynamical variable—the mean interaction energy—is included into the generic relevant statistical operator. This master equation is nonlocal in time and involves the “quasi-temperature”, which is a non- equilibrium state parameter conjugated thermodynamically to the mean interaction energy of the composite system. The evolution equation for the quasi-temperature is derived using the energy conservation law. Thus long-living dynamical correlations, which are associated with this conservation law and play an important role in transition to the Markovian regime and subsequent equilibration of the system, are properly taken into account.
We propose a systematic approach to the dynamics of open quantum systems in the framework of Zubarev’s nonequilibrium statistical operator method. The approach is based on the relation between ensemble means of the Hubbard operators and the matrix elements of the reduced statistical operator of an open quantum system. This key relation allows deriving master equations for open systems following a scheme conceptually identical to the scheme used to derive kinetic equations for distribution functions. The advantage of the proposed formalism is that some relevant dynamical correlations between an open system and its environment can be taken into account. To illustrate the method, we derive a non-Markovian master equation containing the contribution of nonequilibrium correlations associated with energy conservation.
The Lindblad theory of open quantum systems has been successfully applied in various fields ranging from quantum optics, condensed matter physics, and quantum thermodynamics to quantum chemistry. Nevertheless, there are situations where we can compare its predictions to those of exact methods or numerically exact results and find discrepancies between them. One example is the case where a single harmonic oscillator is coupled to a thermal bath of independent harmonic oscillators. In this case, for certain parameters, the exact master equation describes equilibration of the system to a thermal state with a temperature different from the one predicted by the Lindblad master equation. The Lindblad theory, based on a weak coupling between the system and environment as well as the Born-Markov approximation, predicts that the system will evolve to a thermal state whose temperature is equal to the initial temperature of the bath. This result is a consequence of the Born approximation, which supposes that throughout the evolution, the bath only fluctuates around its initial equilibrium state. In this master thesis we study the validity of the Born approximation as well as its consistency with other approximations. By starting from a Hamiltonian for the total system we show that, if the the Born approximation is not invoked, the dynamics of the system is determined by a hierarchy of equations for matrices which can be used to reconstruct the reduced density matrix of the system. This hierarchy approach is fundamentally different from the standard approach, which describes the system dynamics with a weak-coupling master equation, because the hierarchy does not restrict the amount of entanglement possible between the system and the environment. Furthermore, we show how invoking the Born approximation reduces to the usual result and how a generalised ansatz, which we refer to as a generalised Born approximation, reduces the hierarchy to a master equation where the bath temperature is an additional degree of freedom. Finally, we analyse the conservation of the energy of the total system and its relationship to the Markov and secular approximations, and discuss whether imposing it as a condition can fix the time-dependent temperature.
In this paper we demonstrate how to generate the strong-coupling master equations for open quantum systems of continuous variables. These are the dissipative master equations of quantum Brownian particles for which the environmental noise is stronger than other system forces. Our strong-coupling master equations are very different from other so-called "strong-coupling" master equations (e.g. the quantum Smoluchowski equation) which are perturbing off a limit in which the system energy is taken to be perturbative and thus the dynamics is principally Markovian. Such approximations also require the system mass to be asymptotically large (even as compared to the ratio of noise and induced system frequencies) and thus they do not fully categorize the regime of what one might consider to be strong coupling. Our master equations are highly non-Markovian and radically different for different system potentials, admitting no apparent generic form. This result is quite exciting as it brings forth a new regime for theoretical exploration: the regime of strong noise and dissipation yet non-Markovian, such as strong coupling to a low-temperature environment with large 1/f fluctuations.
We study the dynamical correlations in open quantum systems on an example of an exactly solvable dephasing model. The system of non-Markovian kinetic equations for the generalized coherence and quasi-temperature is derived up to the 2-nd order in the coupling constant using the generalized quantum master equation [20]. Numerical and analytical solutions of the kinetic equations are obtained. The analytical result shows a redistribution of the real and imaginary parts of the coherence as compared to the exact one. We give a physical interpretation to the quasi-temperature, relating it to the nonequilibrium kinetic energy of the environment.
We study the role of correlations with the environment as the source of non-Markovian quantum evolutions. We first focus on the impact that correlations with the environment can have on the dynamical map that evolve the system. We expand the set of initial states of a system and its environment that are known to guarantee completely positive reduced dynamics for the system when the combined state evolves unitarily. We characterize the correlations in the initial state in terms of its quantum discord. The induced maps can be not completely positive when quantum correlations including, but not limited to, entanglement are present. We discuss the implications and limitations of the Markov approximation necessary to derive the Kossakowski-Lindblad master equation. A generalized non-Markovian master equation is derived from the dynamical map of systems correlated with their environment. The physical meaning of not completely positive maps is studied to obtain a consistent theory of non-Markovian quantum dynamics. These are associated to inverse maps necessary to establish correlations and they give rise to a canonical embedding map that is local in time. This master equation goes beyond the Kossakowski-Lindblad master equation. Non-equilibrium quantum thermodynamics can be be studied within this theory. Through out this discussion, the general dynamics of two interacting qubits is used as an example for illustrations.
An extremely useful evolution equation that allows systematically calculating the two-time correlation functions (CF's) of system operators for non-Markovian open (dissipative) quantum systems is derived. The derivation is based on perturbative quantum master equation approach, so non-Markovian open quantum system models that are not exactly solvable can use our derived evolution equation to easily obtain their two-time CF's of system operators, valid to second order in the system-environment interaction. Since the form and nature of the Hamiltonian are not specified in our derived evolution equation, our evolution equation is applicable for bosonic and/or fermionic environments and can be applied to a wide range of system-environment models with any factorized (separable) system-environment initial states (pure or mixed). When applied to a general model of a system coupled to a finite-temperature bosonic environment with a system coupling operator L in the system-environment interaction Hamiltonian, the resultant evolution equation is valid for both L = L(†) and L ≠ L(†) cases, in contrast to those evolution equations valid only for L = L(†) case in the literature. The derived equation that generalizes the quantum regression theorem (QRT) to the non-Markovian case will have broad applications in many different branches of physics. We then give conditions on which the QRT holds in the weak system-environment coupling case and apply the derived evolution equation to a problem of a two-level system (atom) coupled to the finite-temperature bosonic environment (electromagnetic fields) with L ≠ L(†).