Generalized Hellmann-Feynman Theorem and Its Applications

被引：3
作者：
Sun, Xin [1 ,2 ]
机构：
[1] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China
[2] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China
来源：
CHINESE PHYSICS LETTERS | 2016年 / 33卷 / 12期
关键词：
MOLECULAR-DYNAMICS;
D O I：
10.1088/0256-307X/33/12/123601
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The Hellmann-Feynman (H-F) theorem is generalized from stationary state to dynamical state. The generalized H-F theorem promotes molecular dynamics to go beyond adiabatic approximation and clears confusion in the Ehrenfest dynamics.
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页数：5
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