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arXiv:2203.02417 · New Journal of Physics

Non-Markovian quantum state diffusion for spin environments

Valentin Link, Kimmo Luoma, Walter T. Strunz

Published Aug 14, 2023• 11 citations
arXivHTMLPDF

Abstract

Abstract We introduce an exact open system method to describe the dynamics of quantum systems that are strongly coupled to specific types of environments comprising of spins, such as central spin systems. Our theory is similar to the established non-Markovian quantum state diffusion theory, but for a spin bath instead of a Gaussian bath. The method allows us to represent the time-evolved reduced state of the system as an ensemble average of stochastically evolving pure states. We present a comprehensive theory for arbitrary linear spin environments at both zero and finite temperatures. Furthermore, we introduce a hierarchical expansion method that enables the numerical computation of the time evolution of the stochastic pure states, facilitating a numerical solution of the open system problem in relevant strong coupling regimes.

DOI
10.1088/1367-2630/aceff3

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Abstract We introduce an exact open system method to describe the dynamics of quantum systems that are strongly coupled to specific types of environments comprising of spins, such as central spin systems. Our theory is similar to the established non-Markovian quantum state diffusion theory, but for a spin bath instead of a Gaussian bath. The method allows us to represent the time-evolved reduced state of the system as an ensemble average of stochastically evolving pure states. We present a comprehensive theory for arbitrary linear spin environments at both zero and finite temperatures. Furthermore, we introduce a hierarchical expansion method that enables the numerical computation of the time evolution of the stochastic pure states, facilitating a numerical solution of the open system problem in relevant strong coupling regimes.
We present a stochastic projection formalism for the description of quantum dynamics in bosonic or spin environments. The Schrödinger equation in the coherent state representation with respect to the environmental degrees of freedom can be reformulated by employing the Feshbach partitioning technique for open quantum systems based on the introduction of suitable non-Hermitian projection operators. In this picture the reduced state of the system can be obtained as a stochastic average over pure state trajectories, for any temperature of the bath. The corresponding non-Markovian stochastic Schrödinger equations include a memory integral over the past states. In the case of harmonic environments and linear coupling the approach gives a new form of the established non-Markovian quantum state diffusion stochastic Schrödinger equation without functional derivatives. Utilizing spin coherent states, the evolution equation for spin environments resembles the bosonic case with, however, a non-Gaussian average for the reduced density operator.
The exact dynamics of a system coupled to an environment can be described by an integro-differential stochastic equation for the reduced density. The influence of the environment is incorporated through a mean field which is both stochastic and nonlocal in time and where the standard two-time correlation functions of the environment appear naturally. Since no approximation is made, the presented theory incorporates exactly dissipative and non-Markovian effects. Applications to the spin-boson model coupled to a heat bath with various coupling regimes and temperature show that the presented stochastic theory can be a valuable tool to simulate exactly the dynamics of open quantum systems. Links with the stochastic Schrödinger equation method and possible extensions to "imaginary time" propagation are discussed.
A general method is developed which enables the exact treatment of the non-Markovian quantum dynamics of open systems through a Monte Carlo simulation technique. The method is based on a stochastic formulation of the von Neumann equation of the composite system and employs a pair of product states following a Markovian random jump process. The performance of the method is illustrated by means of stochastic simulations of the dynamics of open systems interacting with a Bosonic reservoir at zero temperature and with a spin bath in the strong coupling regime.
In order to model realistic quantum devices it is necessary to simulate quantum systems strongly coupled to their environment. To date, most understanding of open quantum systems is restricted either to weak system-bath couplings or to special cases where specific numerical techniques become effective. Here we present a general and yet exact numerical approach that efficiently describes the time evolution of a quantum system coupled to a non-Markovian harmonic environment. Our method relies on expressing the system state and its propagator as a matrix product state and operator, respectively, and using a singular value decomposition to compress the description of the state as time evolves. We demonstrate the power and flexibility of our approach by numerically identifying the localisation transition of the Ohmic spin-boson model, and considering a model with widely separated environmental timescales arising for a pair of spins embedded in a common environment.
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.
We develop a systematic and efficient approach for numerically solving the non-Markovian quantum state diffusion equations for open quantum systems coupled to an environment up to arbitrary orders of noises or coupling strengths. As an important application, we consider a real-time simulation of a spin-boson model in a strong coupling regime that is difficult to deal with using conventional methods. We show that the non-Markovian stochastic Schrodinger equation can be efficiently implemented as a real--time simulation for this model, so as to give an accurate description of spin-boson dynamics beyond the rotating-wave approximation.