Abstract
A method to solve the problem of the electron-nuclear states of molecules with internal rotation and the smeared positions of nuclei due to this rotation is proposed. It is shown how to state the Hamiltonian for the description of the electron motion with regard to this smearing and the total electron-nuclear Hamiltonian.
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Original Russian Text Copyright © 2012 by L. A. Gribov, N. I. Prokof’eva
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Translated from Zhurnal Strukturnoi Khimii, Vol. 53, No. 3, pp. 432–435, May–June, 2012.
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Gribov, L.A., Prokof’eva, N.I. Electron-nuclear Hamiltonian for molecules with internal rotation. J Struct Chem 53, 424–427 (2012). https://doi.org/10.1134/S002247661203002X
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DOI: https://doi.org/10.1134/S002247661203002X