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Scientific Reports

Stochastic Schrödinger equation derivation of non-Markovian two-time correlation functions

Rafael Carballeira, David Dolgitzer, Peng Zhao, Debing Zeng, Yusui Chen

Published Jun 4, 2021• 14 citations
Publisher

Abstract

We derive the evolution equations for two-time correlation functions of a generalized non-Markovian open quantum system based on a modified stochastic Schrödinger equation approach. We find that the two-time reduced propagator, an object that used to be characterized by two independent stochastic processes in the Hilbert space of the system, can be simplified and obtained by taking ensemble average over one single noise. This discovery can save the cost of computation, and accelerate the converging process when taking the average over noisy trajectories. As a result, our method can be widely applied to many open quantum models, especially large-scale systems and extend the quantum regression theory to the non-Markovian case. In the short-time simulations, it is observed a significant difference between Markovian and non-Markovian cases, which can be applied to realize the environmental spectrum detection and enhance the measurement sensitivity in varying open quantum systems.

DOI
10.1038/s41598-021-91216-0

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We derive the evolution equations for two-time correlation functions of a generalized non-Markovian open quantum system based on a modified stochastic Schrödinger equation approach. We find that the two-time reduced propagator, an object that used to be characterized by two independent stochastic processes in the Hilbert space of the system, can be simplified and obtained by taking ensemble average over one single noise. This discovery can save the cost of computation, and accelerate the converging process when taking the average over noisy trajectories. As a result, our method can be widely applied to many open quantum models, especially large-scale systems and extend the quantum regression theory to the non-Markovian case. In the short-time simulations, it is observed a significant difference between Markovian and non-Markovian cases, which can be applied to realize the environmental spectrum detection and enhance the measurement sensitivity in varying open quantum systems.
Non-Markovian stochastic Schrödinger equations (NMSSE) are important tools in quantum mechanics, from the theory of open systems to foundations. Yet, in general, they are but formal objects: their solution can be computed numerically only in some specific cases or perturbatively. This article is focused on the NMSSE themselves rather than on the open-system evolution they unravel and aims at making them less abstract. Namely, we propose to write the stochastic realizations of linear NMSSE as averages over the solutions of an auxiliary equation with an additional random field. Our method yields a non-perturbative numerical simulation algorithm for generic linear NMSSE that can be made arbitrarily accurate for reasonably short times. For isotropic complex noises, the method extends from linear to non-linear NMSSE and allows to sample the solutions of norm-preserving NMSSE directly.
Non-Markovian stochastic Schrodinger equations (NMSSE) are important tools in quantum mechanics, from the theory of open systems to foundations. Yet, in general, they are but formal objects: their solution can be computed numerically only in some specific cases or perturbatively. This article is focused on the NMSSE themselves rather than on the open-system evolution they unravel and aims at making them less abstract. Namely, we propose to write the stochastic realizations of linear NMSSE as averages over the solutions of an auxiliary equation with an additional random field. Our method yields a non-perturbative numerical simulation algorithm for generic linear NMSSE that can be made arbitrarily accurate for reasonably short times. For isotropic complex noises, the method extends from linear to non-linear NMSSE and allows to sample the solutions of norm-preserving NMSSE directly.
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.
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.
Based on the stochastic unravelling of the reduced density operator in the Feynman path integral formalism for an open quantum system in touch with harmonic environments, a new non-Markovian stochastic Schrödinger equation (NMSSE) has been established that allows for the systematic perturbation expansion in the system-bath coupling to arbitrary order. This NMSSE can be transformed in a facile manner into the other two NMSSEs, i.e., non-Markovian quantum state diffusion and time-dependent wavepacket diffusion method. Benchmarked by numerically exact results, we have conducted a comparative study of the proposed method in its lowest order approximation, with perturbative quantum master equations in the symmetric spin-boson model and the realistic Fenna-Matthews-Olson complex. It is found that our method outperforms the second-order time-convolutionless quantum master equation in the whole parameter regime and even far better than the fourth-order in the slow bath and high temperature cases. Besides, the method is applicable on an equal footing for any kind of spectral density function and is expected to be a powerful tool to explore the quantum dynamics of large-scale systems, benefiting from the wavefunction framework and the time-local appearance within a single stochastic trajectory.
Firstly, the Markovian stochastic Schrödinger equations are presented, together with their connections with the theory of measurements in continuous time. Moreover, the stochastic evolution equations are translated into a simulation algorithm, which is illustrated by two concrete examples — the damped harmonic oscillator and a two-level atom with homodyne photodetection. We then consider how to introduce memory effects in the stochastic Schrödinger equation via coloured noise. Specifically, the approach by using the Ornstein-Uhlenbeck process is illustrated and a simulation for the non-Markovian process proposed. Finally, an analytical approximation technique is tested with the help of the stochastic simulation in a model of a dissipative qubit.