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
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.
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收藏
页码:3110 / 3115
页数:6
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