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Journal of Structural Chemistry

2012 year, number 3

ELECTRON-NUCLEAR HAMILTONIAN for molecules with INTERNAL ROTATION

L. A. Gribov, N. I. Prokof'eva
Keywords: quantum theory of molecules, internal rotations, electron-nuclear Hamiltonian
Pages: 432-435

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.