Multiple-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylacetone with the Dire

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

【摘要】

：

In the present work,the quantum trajectory mean-field(QTMF)approach is numerically implemented by ab initio calculation at the level of the complete active space self-consistent field,which is used to

【作者】

：

Bin-Bin Xie Ganglong Cui Wei-Hai Fang

【机构】

：

Key Laboratory of Theoretical and Computational Photochemistry,Ministry of Education,College of Chem

【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】

：

Multiple-state nonadiabatic dynamics Proton transfer Photoisomerization QTMF

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Multiple-State Nonadiabatic Dynamics Simulation of Photoisomerization of Acetylacetone with the Dire

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