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Physical Review A

Equivalence of stochastic formulations and master equations for open systems

Yun‐An Yan, Jiushu Shao

Published Apr 26, 2018• 24 citations
Publisher

Abstract

Several stochastic formulations have been developed to investigate the quantum dynamics of open systems. We show the equivalence between the Liouville equation based on the stochastic decoupling of the system-bath interaction and the non-Markovian quantum state diffusion approach. The procedure we use provides not only a means of calculating the unknown functional derivative in the latter, but also a possibility of developing more efficient theoretical schemes. Further, we demonstrate that the stochastic decoupling approach can feasibly be used to derive master equations for the spontaneously decaying multistate systems, which are difficult to obtain by other available methods.

DOI
10.1103/physreva.97.042126

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Several stochastic formulations have been developed to investigate the quantum dynamics of open systems. We show the equivalence between the Liouville equation based on the stochastic decoupling of the system-bath interaction and the non-Markovian quantum state diffusion approach. The procedure we use provides not only a means of calculating the unknown functional derivative in the latter, but also a possibility of developing more efficient theoretical schemes. Further, we demonstrate that the stochastic decoupling approach can feasibly be used to derive master equations for the spontaneously decaying multistate systems, which are difficult to obtain by other available methods.
Classical Brownian motion has well been investigated since the pioneering work of Einstein, which inspired mathematicians to lay the theoretical foundation of stochastic processes. A stochastic formulation for quantum dynamics of dissipative systems described by the system-plus-bath model has been developed and found many applications in chemical dynamics, spectroscopy, quantum transport, and other fields. This article provides a tutorial review of the stochastic formulation for quantum dissipative dynamics. The key idea is to decouple the interaction between the system and the bath by virtue of the Hubbard-Stratonovich transformation or Itô calculus so that the system and the bath are not directly entangled during evolution, rather they are correlated due to the complex white noises introduced. The influence of the bath on the system is thereby defined by an induced stochastic field, which leads to the stochastic Liouville equation for the system. The exact reduced density matrix can be calculated as the stochastic average in the presence of bath-induced fields. In general, the plain implementation of the stochastic formulation is only useful for short-time dynamics, but not efficient for long-time dynamics as the statistical errors go very fast. For linear and other specific systems, the stochastic Liouville equation is a good starting point to derive the master equation. For general systems with decomposable bath-induced processes, the hierarchical approach in the form of a set of deterministic equations of motion is derived based on the stochastic formulation and provides an effective means for simulating the dissipative dynamics. A combination of the stochastic simulation and the hierarchical approach is suggested to solve the zero-temperature dynamics of the spin-boson model. This scheme correctly describes the coherent-incoherent transition (Toulouse limit) at moderate dissipation and predicts a rate dynamics in the overdamped regime. Challenging problems such as the dynamical description of quantum phase transition (local- ization) and the numerical stability of the trace-conserving, nonlinear stochastic Liouville equation are outlined.
Half century has past since the pioneering works of Anderson and Kubo on the stochastic theory of spectral line shape were published in J. Phys. Soc. Jpn. 9 (1954) 316 and 935, respectively. In this review, we give an overview and extension of the stochastic Liouville equation focusing on its theoretical background and applications to help further the development of their works. With the aid of path integral formalism, we derive the stochastic Liouville equation for density matrices of a system. We then cast the equation into the hierarchy of equations which can be solved analytically or computationally in a nonperturbative manner including the effect of a colored noise. We elucidate the applications of the stochastic theory from the unified theoretical basis to analyze the dynamics of a system as probed by experiments. We illustrate this as a review of several experimental examples including NMR, dielectric relaxation, Mössbauer spectroscopy, neutron scattering, and linear and nonlinear laser spectroscopies. Following the summary of the advantage and limitation of the stochastic theory, we then derive a quantum Fokker–Planck equation and a quantum master equation from a system–bath Hamiltonian with a suitable spectral distribution producing a nearly Markovian random perturbation. By introducing auxiliary parameters that play a role as stochastic variables in an expression for reduced density matrix, we obtain the stochastic Liouville equation including temperature correction terms. The auxiliary parameters may also be interpreted as a random noise that allows us to derive a quantum Langevin equation for non-Markovian noise at any temperature. The results afford a basis for clarifying the relationship between the stochastic and dynamical approaches. Analytical as well as numerical calculations are given as examples and discussed.
Based on the non-equilibrium density matrix method and using the Bogolyubov’s approach for the decoupling of many-particle distribution functions, a closed set of kinetic equations is derived for the state occupancies of closed and open quantum systems. It is shown that the transformation of a non-Markovian master equation into a Markovian one becomes possible at a high-frequency stochastic field alternating the energy levels of a quantum system. At a weak interaction between quantum subsystems composing the open quantum system, the set of linear balance-like kinetic equations for multistate occupancies of the system is transformed into a set of nonlinear kinetic equations for the occupancies of separate quantum subsystems.
A formulation of quantum statistical ensembles in terms of probability distributions on a projective Hilbert space is developed. The combination of statistically independent systems and the reduction of a system to one of its subsystems are described by means of a tensor product of probability distributions and a reduction formula for the reduced probability distribution. Within this framework the dynamics of open quantum systems is investigated starting form a microscopic system-plus-reservoir model. Employing the Markov approximation of the classical theory of stochastic processes the short time behavior of the conditional transition probability is derived and shown to yield a differential Chapman-Kolmogorov equation. The latter has the form of a Liouville master equation for the reduced probability distribution of the open quantum system. Thus it is shown that the time-dependent wave function of an open quantum system represents a well-defined and unique stochastic process in the space of rays of the underlying Hilbert space. This stochastic process consists of a continuous time evolution generated by a nonlinear Schr\"odinger equation and a discontinuous jump process; the realizations of the processes correspond to those of the Monte Carlo wave function simulation method and to those of the jump-type evolution of the quantum trajectory method. The quantum master equation for the statistical operator is derived as the equation of motion for the two-point correlation function of the stochastic process.
The methodology of stochastic description for dissipation, a generic scheme to decouple the interaction between two subsystems, is applied to the study of dissipative dynamics in quantum optics. It is shown that the influence of the coupled thermal or vacuum field on the quantum mode can be exactly represented by the induced stochastic fields. The quantum mode thereby satisfies a stochastic differential equation and dissipation effect due to the coupling with the environment is obtained through statistical averaging. Within the framework of stochastic description, it is demonstrated how to derive the master equation for a single optical mode interacting with the bosonic bath. A numerical algorithm for solving the master equation in which the coefficients are determined by a set of integral equations is discussed and a comparison with the known results is displayed. The derivation of the master equation for the spontaneous decay of two-state atoms in the vacuum is also presented.
Stochastic Schr\"odinger equations for quantum trajectories offer an alternative and sometimes superior approach to the study of open quantum system dynamics. Here we show that recently established convolutionless non-Markovian stochastic Schr\"odinger equations may serve as a powerful tool for the derivation of convolutionless master equations for non-Markovian open quantum systems. The most interesting example is quantum Brownian motion (QBM) of a harmonic oscillator coupled to a heat bath of oscillators, one of the most employed exactly soluble models of open system dynamics. We show explicitly how to establish the direct connection between the exact convolutionless master equation of QBM and the corresponding convolutionless exact stochastic Schr\"odinger equation.