Inchworm Monte Carlo for exact non-adiabatic dynamics. II. Benchmarks and comparison with established methods

被引：46

作者：

Chen, Hsing-Ta ^{[1
,2
]}

Cohen, Guy ^{[2
,3
]}

Reichman, David R. ^{[1
]}

机构：

[1] Columbia Univ, Dept Chem, New York, NY 10027 USA

[2] Tel Aviv Univ, Raymond & Beverly Sackler Ctr Computat Mol & Mat, IL-69978 Tel Aviv, Israel

[3] Tel Aviv Univ, Sch Chem, Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel

来源：

JOURNAL OF CHEMICAL PHYSICS | 2017年 / 146卷 / 05期

基金：

美国国家科学基金会;

关键词：

ELECTRON-TRANSFER REACTIONS; SPIN-BOSON MODEL; LONG-TIME; DISSIPATIVE SYSTEMS; QUANTUM RELAXATION; CONJUGATED POLYMER; LINEAR-RESPONSE; COMPLEX-SYSTEMS; HYBRID APPROACH; ENERGY-TRANSFER;

D O I：

10.1063/1.4974329

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this second paper of a two part series, we present extensive benchmark results for two different inchworm Monte Carlo expansions for the spin-boson model. Our results are compared to previously developed numerically exact approaches for this problem. A detailed discussion of convergence and error propagation is presented. Our results and analysis allow for an understanding of the benefits and drawbacks of inchworm Monte Carlo compared to other approaches for exact real-time non-adiabatic quantum dynamics. Published by AIP Publishing.

引用

页数：9

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