Generalized Hellmann–Feynman Theorem and Its Applications
Xin Sun1,2**
1 Department of Physics, Fudan University, Shanghai 2004332 Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093
Abstract ：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.
收稿日期: 2016-09-02
出版日期: 2016-12-29
:
36.20.-r
(Macromolecules and polymer molecules)
73.20.Mf
(Collective excitations (including excitons, polarons, plasmons and other charge-density excitations))
33.50.Dq
(Fluorescence and phosphorescence spectra)
[1]
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[2]
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[3]
LI Xiao-Xue;DONG Xian-Feng;GAO Kun;XIE Shi-Jie**
. Reverse Polarization of a High-Energy Exciton in Conjugated Polymers
[4]
CAO Xiao-Rong;TAN Ye-Bang;XU Gui-Ying. Aggregation Behaviour of Cationic Diblock Copolymer (MTAC)10 (BA)16 : MesoDyn Simulation Study
[5]
ZHANG Da-Cheng;LIU De-Sheng;MEI Liang-Mo;XIE Shi-Jie;SUN Xin. Re-excited States in Conjugated Polymers
[6]
LI Sheng;LONG De-Shun;SUN Xin;. Photoexcitation of Bipolaron in Conducting Polymers
[7]
LIU Wenqing;XIA Yuxing;LIU Songhao;R. Ramponi*;R. Cubeddu*. Time-resolved Fluorescence Decay Study of Hematoporphyrin Derivative
2016, Vol. 33 
