Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning

出版年份 2015 全文链接

标题

作者

关键词

Time-derivative coupling, Nonadiabatic coupling matrix element, Nonadiabatic molecular dynamics, Ab initio multiple spawning, Conical intersection, Trivial unavoided crossing

出版物

CHEMICAL PHYSICS

Volume 460, Issue -, Pages 117-124

出版商

Elsevier BV

发表日期

2015-06-23

DOI

10.1016/j.chemphys.2015.06.007

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