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arXiv:1005.1190 · Physical Review A

Stochastic process behind nonlinear thermodynamic quantum master equation. I. Mean-field construction

Hans Christian Öttinger

Published Sep 4, 2012• 12 citations
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Abstract

We propose a piecewise deterministic Markovian jump process in Hilbert space such that the covariance matrix of this stochastic process solves the thermodynamic quantum master equation. The proposed stochastic process is particularly simple because the normalization of the vectors in Hilbert space is preserved only on average. As a consequence of the nonlinearity of the thermodynamic master equation, the construction of stochastic trajectories involves the density matrix as a running ensemble average. We identify a principle of detailed balance and a fluctuation-dissipation relation for our Markovian jump process.

DOI
10.1103/physreva.86.032101

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We propose a piecewise deterministic Markovian jump process in Hilbert space such that the covariance matrix of this stochastic process solves the thermodynamic quantum master equation. The proposed stochastic process is particularly simple because the normalization of the vectors in Hilbert space is preserved only on average. As a consequence of the nonlinearity of the thermodynamic master equation, the construction of stochastic trajectories involves the density matrix as a running ensemble average. We identify a principle of detailed balance and a fluctuation-dissipation relation for our Markovian jump process.
We simulate a piecewise deterministic Markovian jump process that represents an unraveling of a nonlinear quantum master equation describing the evolution of a quantum subsystem in contact with a heat bath. This process relies on running ensemble averages and state vectors normalized only on average. The latter causes the normalization of a small subset of trajectories to grow exponentially, resulting in numerical instability. We propose an efficient solution to this problem and illustrate the general ideas for a harmonic oscillator and a two-level system, each of them being weakly coupled to a heat reservoir. Our findings lay the foundation for a powerful simulation technique for dissipative quantum systems surrounded by general classical nonequilibrium environments.
It is shown that non-Markovian master equations for an open system which are local in time can be unravelled through a piecewise deterministic quantum jump process in its Hilbert space. We derive a stochastic Schrödinger equation that reveals how non-Markovian effects are manifested in statistical correlations between different realizations of the process. Moreover, we demonstrate that possible violations of the positivity of approximate master equations are closely connected to singularities of the stochastic Schrödinger equation, which could lead to important insights into the structural characterization of positive non-Markovian equations of motion.
Abstract This chapter contains the foundations of the stochastic formulation of continuous measurements carried out on an open quantum system. It shows that the time evolution of the state vector, conditioned on the measurement record, is given by a piecewise deterministic process in Hilbert space involving continuous time-evolution periods which are broken by randomly occurring, sudden quantum jumps. This so-called unravelling of the quantum master equation in the form of a stochastic process is based on a close relation between quantum dynamical semigroups and piecewise deterministic processes. The general theory is illustrated by means of a number of examples, such as direct, homodyne, and heterodyne photodetection. The chapter also treats the corresponding description of continuous measurements through stochastic Schr ö dinger equations and stochastic differential equations for the density matrix, as well as the stochastic representation of multitime correlations functions.
The dynamics of an open quantum system coupled to an external reservoir is studied on the basis of a recently proposed formulation of quantum statistical ensembles in terms of probability distributions on projective Hilbert space. The previous result is generalized to include interaction Hamiltonians of the form tsumi{\mathit{tsum}}_{\mathit{i}}tsumi​Ai{\mathit{A}}_{\mathit{i}}Ai​\ensuremath{\bigotimes}Bi{\mathit{B}}_{\mathit{i}}Bi​, where Ai{\mathit{A}}_{\mathit{i}}Ai​ and Bi{\mathit{B}}_{\mathit{i}}Bi​ are operators acting on the Hilbert space of the reduced system and of the reservoir, respectively. The differential Chapman-Kolmogorov equation governing the dynamics of the conditional transition probability of the reduced system is derived from the underlying microscopic theory based on the Schr\"odinger equation for the total system. The stochastic process turns out to be a piecewise deterministic Markovian jump process in the projective Hilbert space of the reduced system. The sample paths are derived and shown to be similar to those of the Monte Carlo wave function simulation methods proposed in the literature. Finally, a diffusion-noise expansion of the Liouville master equation is performed and demonstrated to yield a stochastic differential equation for the state vector of the open system.
Markovian quantum master equations (MQMEs) were established nearly half a century ago. They have often been used in the study of irreversible thermodynamics. However, the previous results were mainly concerned about ensemble averages; the stochastic thermodynamics of these systems went unnoticed for a very long time. This situation remained unchanged until a variety of fluctuation theorems in classical and quantum regimes were found in the past two decades. In this paper, we systematically summarize the current understanding on the stochastic heat and work in MQMEs using two distinct strategies. One strategy is to treat the system and its surrounding heat bath as a closed quantum system, to suppose that the evolution of the composite system is unitary under a time-dependent total Hamiltonian and to define the heat and work as the changes in energy by applying two energy measurements scheme to the composite system. The other strategy is to unravel these MQMEs into random quantum jump trajectories (QJTs) and to define the stochastic heat and work along the individual trajectories. Many important physical concepts, mathematical techniques, and fluctuation theorems at different descriptive levels are given in as detailed a manner as possible. We also use concrete models to illustrate these results.
A maximum entropy approach to time-dependent phenomena is employed to construct a quantum stochastic theory for adiabatic processes in condensed phases. This theory is illustrated by considering the relative motion of a two-particle system interacting with a heat bath. We present a fully quantum mechanical phase space master equation, which is new. In the limit where the length of thermal spatial fluctuations along the relative coordinates is much greater than half the wavelength for thermal momentum fluctuations associated with relative motion, our master equation reduces to a simpler form, and the principle of detailed balance emerges. This limit is shown to be equivalent to fulfilling a ’’thermal Heisenberg uncertainty’’ relation: Δp̄Δq̄>>ℏ/2. The simpler master equation is utilized in the development of a quantum mechanical nonlinear Fokker–Planck equation. For cases in which correlations involving spatial and momentum fluxes are short ranged, the nonlinear Fokker–Planck equation reduces to the usual linear form, with ’’collision’’ and ’’streaming’’ terms that contain quantum corrections to all orders in ℏ. The relationship between the classical limit of the present theory and Brownian motion theory based on the Chapman–Kolmogorov equation is established.