Dynamics of a One-Dimensional Holstein Polaron with the Hierarchical Equations of Motion Approach

被引：68

作者：

Chen, Lipeng ^{[1
]}

Zhao, Yang ^{[1
]}

Tanimura, Yoshitaka ^{[2
]}

机构：

[1] Nanyang Technol Univ, Div Mat Sci, Singapore 639798, Singapore

[2] Kyoto Univ, Grad Sch Sci, Dept Chem, Kyoto 6068502, Japan

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2015年 / 6卷 / 15期

基金：

新加坡国家研究基金会;

关键词：

ENERGY-BAND THEORY; PATH-INTEGRALS; QUANTUM SYSTEM; TIME; EMISSION;

D O I：

10.1021/acs.jpclett.5b01368

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：

Dynamics of a one-dimensional Holstein molecular crystal model is investigated by making use of the hierarchical equations of motion (HEOM) introduced by Tanimura and Kubo [J. Phys. Soc. Jpn. 1989, 104, 101]. Our extended, numerically exact HEOM approach is capable of treating exciton-phonon coupling in a nonperturbative manner and is applicable to any temperature. It is revealed that strong exciton phonon coupling leads to excitonic localization, while a large exciton transfer integral facilitates exciton transport. Temperature effects on excitonic scattering have also been examined. A proof of concept, our work also serves as a benchmark for future comparisons with other numerical approaches to Holstein polaron dynamics.

引用

页码：3110 / 3115

页数：6

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