| ATOMIC AND MOLECULAR PHYSICS |
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Generalized Hellmann–Feynman Theorem and Its Applications |
| Xin Sun1,2** |
1Department of Physics, Fudan University, Shanghai 200433
2Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093
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| Cite this article: |
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Xin Sun 2016 Chin. Phys. Lett. 33 123601 |
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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.
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Received: 02 September 2016
Published: 29 December 2016
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| PACS: |
36.20.-r
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(Macromolecules and polymer molecules)
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73.20.Mf
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(Collective excitations (including excitons, polarons, plasmons and other charge-density excitations))
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33.50.Dq
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(Fluorescence and phosphorescence spectra)
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Abstract
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