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The Notion of the Force Analysis of the Non‐Stationary Case
Author(s) -
Srebrenik S.,
Pauncz R.
Publication year - 1980
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198000031
Subject(s) - chemistry , partial charge , state (computer science) , statistical physics , mathematical physics , theoretical physics , thermodynamics , physics , mathematics , algorithm , molecule , organic chemistry
We deal with the definition and analysis of the force on a nucleus in a non‐stationary state. The considerations are based on the Ehrenfest theorem and are generalized for an arbitrary model and specifically to the Born‐Oppenheimer approximation. We suggest that the force is given by \documentclass{article}\pagestyle{empty}\begin{document}$ \left\langle {\partial H\,/\partial R} \right\rangle $\end{document} rather than \documentclass{article}\pagestyle{empty}\begin{document}$ \partial E/\partial R $\end{document} and show that this definition is consistent with different physical models and approaches.