Year: 2017
Type: article
Abstract: In this paper, we provide a detailed description of the inchworm Monte Carlo formalism for the exact study of real-time non-adiabatic dynamics. This method optimally recycles Monte Carlo information from earlier times to greatly suppress the dynamical sign problem. Using the example of the spin-boson model, we formulate the inchworm expansion in two distinct ways: The first with respect to an expansion in the system-bath coupling and the second as an expansion in the diabatic coupling. The latter approach motivates the development of a cumulant version of the inchworm Monte Carlo method, which has the benefit of improved scaling. This paper deals completely with methodology, while Paper II provides a comprehensive comparison of the performance of the inchworm Monte Carlo algorithms to other exact methodologies as well as a discussion of the relative advantages and disadvantages of each.
Source: The Journal of Chemical Physics
DOI: 10.1063/1.4974328
Authors: Hsing-Ta Chen, Guy Cohen, David R. Reichman
Institutions: Tel Aviv University, Columbia University
Language: English
Topic: Quantum many-body systems
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Funder: Division of Chemistry
Award: G7160058018
OpenAlex ID: W2544611407