Analytic energy derivatives of the electronic excited states in the time-dependent density functional theory

被引:0
作者
Liang, Wanzhen [1 ]
机构
[1] Univ Sci & Technol China, Dept Chem Phys, Hefei 230026, Anhui, Peoples R China
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2011年 / 242卷
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D O I
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
369-PHYS
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页数:1
相关论文
共 2 条
[1]  
Liu J., ANAL HESSIAN E UNPUB
[2]   Molecular-orbital-free algorithm for the excited-state force in time-dependent density functional theory [J].
Liu, Jie ;
Liang, Wan Zhen .
JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (04)