The Bold-Thin-Bold Diagrammatic Monte Carlo Method for Open Quantum Systems

TL;DR

This paper introduces two diagrammatic Monte Carlo methods for simulating open quantum systems coupled with harmonic baths, improving computational efficiency and memory usage through diagram resummation and reuse strategies.

Contribution

The paper presents a novel bold-thin-bold diagrammatic Monte Carlo method that accelerates convergence by resumming diagrams, extending previous algorithms with enhanced efficiency.

Findings

The methods accurately simulate spin-boson models.

Resummation improves convergence speed.

Algorithms outperform previous approaches in efficiency.

Abstract

We present two diagrammatic Monte Carlo methods for quantum systems coupled with harmonic baths, whose dynamics are described by integro-differential equations. The first approach can be considered as a reformulation of Dyson series, and the second one, called "bold-thin-bold diagrammatic Monte Carlo", is based on resummation of the diagrams in the Dyson series to accelerate its convergence. The underlying mechanism of the governing equations associated with the two methods lies in the recurrence relation of the path integrals, which is the most costly part in the numerical methods. The proposed algorithms give an extension to the work ["Fast algorithms of bath calculations in simulations of quantum system-bath dynamics", Computer Physics Communications, to appear], where the algorithms are designed based on reusing the previous calculations of bath influence functionals. Compared with the algorithms therein, our methods further include the reuse of system associated functionals and show better performance in terms of computational efficiency and memory cost. We demonstrate the two methods in the framework of spin-boson model, and numerical experiments are carried out to verify the validity of the methods.