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arXiv:1203.2219 · Physical Review A

Non-Markovian fermionic stochastic Schrödinger equation for open system dynamics

Wufu Shi, Xinyu Zhao, Ting Yu

Published May 21, 2013• 33 citations
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Abstract

This paper presents an exact Grassmann stochastic Schr\"odinger equation for the dynamics of an open fermionic quantum system coupled to a reservoir consisting of a finite or infinite number of fermions. We use this stochastic Schr\"odinger equation as a generic open system tool to derive the exact master equation for an electronic system strongly coupled to fermionic reservoirs. The generality and applicability of this Grassmann stochastic approach are justified and exemplified by several quantum fermionic system problems concerning quantum coherence coupled to vacuum or finite-temperature fermionic reservoirs. Our studies show that the quantum coherence property of a quantum dot system can be profoundly modified by the environmental memory.

DOI
10.1103/physreva.87.052127

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This paper presents an exact Grassmann stochastic Schr"odinger equation for the dynamics of an open fermionic quantum system coupled to a reservoir consisting of a finite or infinite number of fermions. We use this stochastic Schr"odinger equation as a generic open system tool to derive the exact master equation for an electronic system strongly coupled to fermionic reservoirs. The generality and applicability of this Grassmann stochastic approach are justified and exemplified by several quantum fermionic system problems concerning quantum coherence coupled to vacuum or finite-temperature fermionic reservoirs. Our studies show that the quantum coherence property of a quantum dot system can be profoundly modified by the environmental memory.
This paper considers the extension of the non-Markovian stochastic approach for quantum open systems strongly coupled to a fermionic bath to the models in which the system operators commute with the fermionic bath. This technique can also be a useful tool for studying open quantum systems coupled to a spin-chain environment, which can be further transformed into an effective fermionic bath. We derive an exact stochastic Schr\"odinger equation (SSE), called the fermionic quantum state diffusion (QSD) equation, from the first principle by using the fermionic coherent state representation. The reduced density operator for the open system can be recovered from the stochastic average of the solutions to the QSD equation over the Grassmann-type noise. By employing the exact fermionic QSD equation, we can derive the corresponding exact master equation. The power of our approach is illustrated by the applications of our stochastic approach to several models of interest including the one-qubit dissipative model, the coupled two-qubit dissipative model, the quantum Brownian motion model, and the NNN-fermion model coupled to a fermionic bath. Different effects caused by the fermionic and bosonic baths on the dynamics of open systems are also discussed.
Positivity preservation is naturally guaranteed in exact non-Markovian master equations for open quantum system dynamics. However, in many approximated non-Markovian master equations, the positivity of the reduced density matrix is not guaranteed. In this paper we provide a general class of time-local, perturbative, and positivity-preserving non-Markovian master equations generated from stochastic Schr\"odinger equations, particularly quantum-state-diffusion equations. Our method has an expanded range of applicability for accommodating a variety of non-Markovian environments. We show the positivity-preserving master equation for a three-level system coupled to a dissipative bosonic environment as a particular example to exemplify our general approach. We illustrate the numerical simulations with an analysis explaining why the previous approximated non-Markovian master equations cannot guarantee positivity. Our work provides a consistent master equation for studying the non-Markovian dynamics in ultrafast quantum processes and strong-coupling systems.
Quantum Brownian motion plays a fundamental role in many areas of modern physics. In the path-integral formulation, environmental fluctuations can be characterized by auxiliary stochastic fields. Intriguingly, for fermionic environments the stochastic fields must be Grassmann valued so as to memorize the order of the random forces exerted on the system. Such nonclassical fields cannot be represented by conventional means. We propose a strategy to map the Grassmann-number fields to conventional c-number noises and a set of quantized pseudolevels. The resulting stochastic equation of motion (SEOM) enables direct stochastic simulation of the fermionic dissipative dynamics. The SEOM gives exact physical observables of noninteracting systems, and yields accurate approximate results for interacting systems. The practicality and accuracy of the proposed strategy and the SEOM are exemplified by numerical studies conducted on a single-impurity Anderson model.
We develop a stochastic Schrödinger equation (SSE) framework to simulate the real-time dynamics of Anderson-Holstein (AH) impurities coupled to a continuous Fermionic bath. The bath degrees of freedom are incorporated through fluctuating terms determined by exact system-bath correlations, which is derived in an ab initio manner. We show that such an SSE treatment provides a middle ground between numerically expansive microscopic simulations and macroscopic master equations. Computationally, the SSE model enables efficient numerical methods for propagating stochastic trajectories. We demonstrate that this approach not only naturally provides microscopically detailed information unavailable from reduced models but also captures effects beyond master equations, thus serving as a promising tool to study open quantum dynamics emerging in physics and chemistry.
We present a general theory of non-Markovian dynamics for open systems of noninteracting fermions (bosons) linearly coupled to thermal environments of noninteracting fermions (bosons). We explore the non-Markovian dynamics by connecting the exact master equations with the nonequilibirum Green's functions. Environmental backactions are fully taken into account. The non-Markovian dynamics consists of nonexponential decays and dissipationless oscillations. Nonexponential decays are induced by the discontinuity in the imaginary part of the self-energy corrections. Dissipationless oscillations arise from band gaps or the finite band structure of spectral densities. The exact analytic solutions for various non-Markovian thermal environments show that non-Markovian dynamics can be largely understood from the environmental-modified spectra of open systems.
In this work, we establish formally exact stochastic equation of motion (SEOM) theory to describe the dissipative dynamics of fermionic open systems. The construction of the SEOM is based on a stochastic decoupling of the dissipative interaction between the system and fermionic environment, and the influence of environmental fluctuations on the reduced system dynamics is characterized by stochastic Grassmann fields. Meanwhile, numerical realization of the time-dependent Grassmann fields has remained a long-standing challenge. To solve this problem, we propose a minimal auxiliary space (MAS) mapping scheme with which the stochastic Grassmann fields are represented by conventional c-number fields along with a set of pseudo-levels. This eventually leads to a numerically feasible MAS-SEOM method. The important properties of the MAS-SEOM are analyzed by making connection to the well-established time-dependent perturbation theory and the hierarchical equations of motion theory. The MAS-SEOM method provides a potentially promising approach for the accurate and efficient simulation of fermionic open systems at ultra-low temperatures.