文献类型：期刊文章

作　　者：高靓辉[1] 谢斌斌[1] 方维海[1]

机构地区：[1]北京师范大学化学学院理论及计算光化学教育部重点实验室

出　　处：《Chinese Journal of Chemical Physics》

基　　金：supported by the National Key R&D Program of China(No.2017YFB0203405);the National Natural Science Foundation of China(No.21421003)

年　　份：2018

卷　　号：31

期　　号：1

起止页码：12-26

语　　种：中文

收录情况：AJ、CAS、CSCD、CSCD2017_2018、INSPEC、JST、RSC、SCIE、SCOPUS、ZGKJHX、普通刊

摘　　要：Electronically non-adiabatic processes are essential parts of photochemical process, collisions of excited species, electron transfer processes, and quantum information processing. Various non-adiabatic dynamics methods and their numerical implementation have been developed in the last decades. This review summarizes the most significant development of mixed quantum-classical methods and their applications which mainly include the Liouville equa- tion, Ehrenfest mean-field, trajectory surface hopping, and multiple spawning methods. The recently developed quantum trajectory mean-field method that accounts for the decoherence corrections in a parameter-free fashion is discussed in more detail.

关 键 词：Non-adiabatic dynamics  MEAN-FIELD Surface hopping  DECOHERENCE

分 类 号：O644.1]