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

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• 作者：Lipeng Chen ; Yang Zhao ; Yoshitaka Tanimura
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2015
• 出版时间：August 6, 2015
• 年：2015
• 卷：6
• 期：15
• 页码：3110-3115
• 全文大小：408K
• ISSN：1948-7185

文摘

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鈥損honon 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.