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Physical Review A

Density Operator and Multitime Correlation Functions for Open Systems

Fritz Haake

Published May 1, 1971• 32 citations
Publisher

Abstract

We describe the dynamics of an open system $\mathcal{S}$ in terms of a nonunitary time evolution operator. The latter is defined to solve the generalized master equation for the density operator of $\mathcal{S}$ as obtained using Zwanzig's projector technique. Multitime correlation functions of observables of $\mathcal{S}$ are expressed in terms of this time evolution operator. Our results generalize well-known fluctuation dissipation (or regression) theorems valid for Markovian motions of open systems. Moreover, they can be used to combine density-operator and Green's-function methods in dealing with open systems. As an example we treat the retarded electron-electron interaction in superconductors.

DOI
10.1103/physreva.3.1723

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arXiv:1911.12312•Nov 27, 2019•0 citations
We describe the dynamics of an open system S\mathcal{S}S in terms of a nonunitary time evolution operator. The latter is defined to solve the generalized master equation for the density operator of S\mathcal{S}S as obtained using Zwanzig's projector technique. Multitime correlation functions of observables of S\mathcal{S}S are expressed in terms of this time evolution operator. Our results generalize well-known fluctuation dissipation (or regression) theorems valid for Markovian motions of open systems. Moreover, they can be used to combine density-operator and Green's-function methods in dealing with open systems. As an example we treat the retarded electron-electron interaction in superconductors.
Beyond the conventional quantum regression theorem, a general formula for non-Markovian correlation functions of arbitrary system operators both in the time- and frequency-domain is given. Weapproach the problem by transforming the conventional time-non-local master equation into dispersed time-local equations-of-motion. The validity of our approximations is discussed and we find that the non-Markovian terms have to be included for short times. While calculations of the density matrix at short times suffer from the initial value problem, a correlation function has a well defined initial state. The resulting formula for the non-Markovian correlation function has a simple structure and is as convenient in its application as the conventional quantum regression theorem for the Markovian case. For illustrations, we apply our method to investigate the spectrum of the current fluctuations of interacting quantum dots contacted with two electrodes. The corresponding non- Markovian characteristics are demonstrated.
We extend the Nakajima-Zwanzig projection operator technique to the determination of multitime correlation functions of open quantum systems. The correlation functions are expressed in terms of certain multitime homogeneous and inhomogeneous memory kernels for which suitable equations of motion are derived. We show that under the condition of finite memory times, these equations can be used to determine the memory kernels by employing an exact stochastic unraveling of the full system-environment dynamics. The approach thus allows us to combine exact stochastic methods, feasible for short times, with long-time master equation simulations. The applicability of the method is demonstrated by numerical simulations of two-dimensional spectra for a donor-acceptor model, and by comparison of the results with those obtained from the reduced hierarchy equations of motion. We further show that the formalism is also applicable to the time evolution of a periodically driven two-level system initially in equilibrium with its environment.
Beyond the conventional quantum regression theorem, a general formula for non-Markovian correlation functions of arbitrary system operators both in the time- and frequency-domain is given. We approach the problem by transforming the conventional time-non-local master equation into dispersed time-local equations-of-motion. The validity of our approximations is discussed and we find that the non-Markovian terms have to be included for short times. While calculations of the density matrix at short times suffer from the initial value problem, a correlation function has a well defined initial state. The resulting formula for the non-Markovian correlation function has a simple structure and is as convenient in its application as the conventional quantum regression theorem for the Markovian case. For illustrations, we apply our method to investigate the spectrum of the current fluctuations of interacting quantum dots contacted with two electrodes. The corresponding non-Markovian characteristics are demonstrated.
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(†).
Using the recently developed phase-space techniques for the treatment of quantum-mechanical problems, we set up a procedure for calculating multitime-correlation functions in terms of the joint distribution functions. The correlation functions are then expressed simply as integrals over the associated phase space. Explicit expressions are given for these joint distribution functions, in terms of Green's functions of the ccc-number equations of motion for the phase-space equivalent of the density operator. Using these joint distribution functions, an exact regression theorem is rederived, and the connection with the multitime correspondence between classical and quantum stochastic processes is discussed.
The non-Markovian master equation for open quantum systems is obtained by generalization of the ordinary Zwanzig-Nakajima (ZN) projection technique. To this end, a coupled chain of equations for the reduced density matrices of the bath ϱB(t)\varrho_{B}(t)ϱB​(t) and the system ϱS(t)\varrho_{S}(t)ϱS​(t) are written down. A formal solution of the equation for ϱB(t)\varrho_{B}(t)ϱB​(t), having been inserted in the equation for the reduced density matrix of the system, in the 2-nd approximation in interaction yields a very specific extra term in the generalized master equation. This term, being nonlinear in ϱS(t)\varrho_{S}(t)ϱS​(t), is related to the intrinsic bath dynamics and vanishes in the Markovian limit. To verify the consistence and robustness of our approach, we applied the generalized ZN projection scheme to a simple dephasing model. It is shown that consideration of the lowest order in interaction is insufficient to describe time evolution of the system coherence adequately. We explain this fact by analyzing the exact and approximate forms of ϱB(t)\varrho_{B}(t)ϱB​(t) and give some hints how to take the dynamic correlations (which originate from the spin-bath coupling) into account.