New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory. II. Application to the charge transfer processes in the 3D DH2+ system

ChaoYuan Zhu*, Hideyuki Kamisaka, Hiroki Nakamura

*Corresponding author for this work

研究成果: Article

57 引文 斯高帕斯(Scopus)

摘要

The trajectory surface hopping (TSH) method was implemented using the Zhu-Nakamura semiclassical theory of nonadiabatic transition. The method is tested by applying it to charge transfer processes in the 3D DH2+ system. Numerical results showed that the method worked well at all energies and for all initial vibrational states.

原文English
頁(從 - 到)3234-3247
頁數14
期刊Journal of Chemical Physics
116
發行號8
DOIs
出版狀態Published - 22 二月 2002

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