On the analytical second derivatives of the excited state energy in the framework of Time-Dependent Density Functional Theory

被引：0
|
作者：
Scalmani, Giovanni [1 ]
Williams-Young, David [2 ]
Frisch, Michael J. [1 ]
Li, Xiaosong [2 ]
机构：
[1] Gaussian Inc, Wallingford, CT 06492 USA
[2] Univ Washington, Dept Chem, Seattle, WA 98195 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 248卷
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
526-COMP
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页数：1
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