Theoretical Studies of Nonadiabatic Dynamics

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：smtl520

【摘要】

：

　　Our works focus on the theoretical description of nonadiabatic dynamics on molecular excited states.The first topic of our group is to develop a user-friend

【作者】

：

Zhenggang Lan

【机构】

：

QingdaoInstituteofBioenergyandBioprocessTechnology,ChineseAcademyofSciences,Qingdao266101,China

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年6期

【关键词】

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Nonadiabatic Dynamics surface hopping diabatization ML-MCTDH

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　　Our works focus on the theoretical description of nonadiabatic dynamics on molecular excited states.The first topic of our group is to develop a user-friendly simulation package called “JADE”,which performs the simulation of nonadiabatic dynamics within the framework of the on-the-fly trajectory surface-hopping dynamics.

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Theoretical Studies of Nonadiabatic Dynamics

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