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The Rigorous Stochastic Matrix Product Method for the Calculations of Reduced Equilibrium Density Matrices of Multilevel Open Quantum Systems

Xin Chen

Published Oct 28, 2013• 0 citations
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The rigorous stochastic matrix multiplication scheme for the calculations of reduced equilibrium density matrices of open multilevel quantum systems

Xin Chen

Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems.

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The reduced density matrix that characterises the state of an open quantum system is a projection from the full density matrix of the quantum system and its environment, and there are many full density matrices consistent with a given reduced version. Without a specification of relevant details of the environment, the time evolution of a reduced density matrix is therefore typically unpredictable, even if the dynamics of the full density matrix are deterministic. With this in mind, we investigate a two-level open quantum system using a framework of quantum state diffusion. We consider the pseudorandom evolution of its reduced density matrix when subjected to an environment-driven process that performs a continuous quantum measurement of a system observable, invoking dynamics that asymptotically send the system to one of the relevant eigenstates. The unpredictability is characterised by a stochastic entropy production, the average of which corresponds to an increase in the subjective uncertainty of the quantum state adopted by the system and environment, given the underspecified dynamics. This differs from a change in von Neumann entropy, and can continue indefinitely as the system is guided towards an eigenstate. As one would expect, the simultaneous measurement of two non-commuting observables within the same framework does not send the system to an eigenstate. Instead, the probability density function describing the reduced density matrix of the system becomes stationary over a continuum of pure states, a situation characterised by zero further stochastic entropy production. Transitions between such stationary states, brought about by changes in the relative strengths of the two measurement processes, give rise to finite positive mean stochastic entropy production. The framework investigated can offer useful perspectives on both the dynamics and irreversible thermodynamics of measurement in quantum systems.

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We study the influence of the preparation of an open quantum system on its reduced time evolution. In contrast to the frequently considered case of an initial preparation where the total density matrix factorizes into a product of a system density matrix and a bath density matrix the time evolution generally is no longer governed by a linear map nor is this map affine. Put differently, the evolution is truly nonlinear and cannot be cast into the form of a linear map plus a term that is independent of the initial density matrix of the open quantum system. As a consequence, the inhomogeneity that emerges in formally exact generalized master equations is in fact a nonlinear term that vanishes for a factorizing initial state. The general results are elucidated with the example of two interacting spins prepared at thermal equilibrium with one spin subjected to an external field. The second spin represents the environment. The field allows the preparation of mixed density matrices of the first spin that can be represented as a convex combination of two limiting pure states, i.e., the preparable reduced density matrices make up a convex set. Moreover, the map from these reduced density matrices onto the corresponding density matrices of the total system is affine only for vanishing coupling between the spins. In general, the set of the accessible total density matrices is nonconvex.

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Quantum Monte Carlo calculation of reduced density matrices

Lucas K. Wagner

Bulletin of the American Physical Society•Feb 27, 2012•0 citations
Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems.
The reduced density matrix that characterises the state of an open quantum system is a projection from the full density matrix of the quantum system and its environment, and there are many full density matrices consistent with a given reduced version. Without a specification of relevant details of the environment, the time evolution of a reduced density matrix is therefore typically unpredictable, even if the dynamics of the full density matrix are deterministic. With this in mind, we investigate a two-level open quantum system using a framework of quantum state diffusion. We consider the pseudorandom evolution of its reduced density matrix when subjected to an environment-driven process that performs a continuous quantum measurement of a system observable, invoking dynamics that asymptotically send the system to one of the relevant eigenstates. The unpredictability is characterised by a stochastic entropy production, the average of which corresponds to an increase in the subjective uncertainty of the quantum state adopted by the system and environment, given the underspecified dynamics. This differs from a change in von Neumann entropy, and can continue indefinitely as the system is guided towards an eigenstate. As one would expect, the simultaneous measurement of two non-commuting observables within the same framework does not send the system to an eigenstate. Instead, the probability density function describing the reduced density matrix of the system becomes stationary over a continuum of pure states, a situation characterised by zero further stochastic entropy production. Transitions between such stationary states, brought about by changes in the relative strengths of the two measurement processes, give rise to finite positive mean stochastic entropy production. The framework investigated can offer useful perspectives on both the dynamics and irreversible thermodynamics of measurement in quantum systems.
We study the influence of the preparation of an open quantum system on its reduced time evolution. In contrast to the frequently considered case of an initial preparation where the total density matrix factorizes into a product of a system density matrix and a bath density matrix the time evolution generally is no longer governed by a linear map nor is this map affine. Put differently, the evolution is truly nonlinear and cannot be cast into the form of a linear map plus a term that is independent of the initial density matrix of the open quantum system. As a consequence, the inhomogeneity that emerges in formally exact generalized master equations is in fact a nonlinear term that vanishes for a factorizing initial state. The general results are elucidated with the example of two interacting spins prepared at thermal equilibrium with one spin subjected to an external field. The second spin represents the environment. The field allows the preparation of mixed density matrices of the first spin that can be represented as a convex combination of two limiting pure states, i.e., the preparable reduced density matrices make up a convex set. Moreover, the map from these reduced density matrices onto the corresponding density matrices of the total system is affine only for vanishing coupling between the spins. In general, the set of the accessible total density matrices is nonconvex.