Significant improvement of the trajectory surface hopping method by the Zhu-Nakamura theory

Chaoyuan Zhu*, Hideyuki Kamisaka, Hiroki Nakamura

*Corresponding author for this work

Research output: Contribution to journalArticle

43 Scopus citations

Abstract

The trajectory surface hopping (TSH) method based on the Zhu-Nakamura theory was analyzed for applying it to the 3D reaction dynamics of electronically nonadiabatic transitions in the DH+ 2 system. The TSH method was tested in the collinear reactive and nonreactive charge transfer processes in the H+ 3 system. It is found that the TSH method is suitable for treating high-dimensional electronically nonadiabatic processes.

Original languageEnglish
Pages (from-to)11036-11039
Number of pages4
JournalJournal of Chemical Physics
Volume115
Issue number24
DOIs
StatePublished - 22 Dec 2001

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