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  5. Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machi

Analysis of the Geometrical Evolution in On-the-Fly Surface-Hopping Nonadiabatic Dynamics with Machi

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：knik120
【摘 要】
：
On-the-fly trajectory-based nonadiabatic dynamics simulation becomes an important approach to study ultrafast photochemical and photophysical processes in recent years.
【作 者】
：
Xusong Li Yu Xie Deping Hu Zhenggang Lan 
【机 构】
：
CAS Key Laboratory of Biobased Materials,Qingdao Institute of Bioenergy and Bioprocess Technology,Ch
【出 处】
：
第十三届全国量子化学会议
【发表日期】
：
2017年10期
【关键词】
：
nonadiabatic molecular dynamics MDS ISOMAP surface hopping dimensionality reduct 
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　　On-the-fly trajectory-based nonadiabatic dynamics simulation becomes an important approach to study ultrafast photochemical and photophysical processes in recent years.
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