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The Hellmann-Feynman theorem applied to long-range forces
Authors:Toshikatsu Koga  Hiroshi Nakatsuji
Institution:(1) Department of Hydrocarbon Chemistry Faculty of Engineering, Kyoto University, Kyoto, Japan
Abstract:The relations between the Hellmann-Feynman forces in laboratory fixed (L-) and relative (R-) coordinate systems are clarified. In the usualL-coordinate system, the force is interpreted as force on nucleus, while in theR-coordinate system, it means force on whole particles consisting of the electrons and nuclei of each interacting subsystem. From a perturbation theoretical viewpoint, the concept of the force on whole particles correctly corresponds to the perturbation energy and is superior to the force on the nucleus.
Keywords:Hellmann-Feynman theorem  Long-range forces  Perturbation theory
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