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[会议论文] 作者：Zexing Qu,Chungen Liu,
来源：第十二届全国量子化学会议 年份：2014
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Construction of Diabatic and Adiabatic Potential Energy Surfaces of Li2 by Multistate Density Functi
[会议论文] 作者：MengWang,Zexing Qu,Jiali Gao,
来源：第十五届全国化学动力学会议 年份：2017
In this study,we describe the total of 26 diabatic states for lithium dimer(Li2)to determine the adiabatic ground state and excited states and their potenti...
Construction of Diabatic and Adiabatic Potential Energy Surfaces of Li2 by Multistate Density Functi
[会议论文] 作者：MengWang,Zexing Qu,Jiali Gao,
来源：第十五届全国化学动力学会议 年份：2017
In this study,we describe the total of 26 diabatic states for lithium dimer(Li2)to determine the adiabatic ground state and excited states and their potential energy surfaces using multistate density...
[会议论文] 作者：Jiali Gao,Xin Chen,Zexing Qu,
来源：第十三届全国量子化学会议 年份：2017
This report will focus on the recent progress of developing a new fragment based quantum mechanics force field(QMRF).QMRF can be applied to investigate the...
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