On the transformation of the complete electron-nuclear Hamiltonian of a polyatomic molecule to the intramolecular coordinates

Yu S. Makushkin, O. N. Ulenikov

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49 Citations (Scopus)

Abstract

The transformation of the total electron-nuclear Hamiltonian of a polyatomic molecule, both for nonlinear and linear molecules, to the intramolecular vibrational and rotational coordinates has been made on the basis of the formulas for coordinate and impulse transformations from the space-fixed system of reference to the molecule-fixed one.

Original languageEnglish
Pages (from-to)1-20
Number of pages20
JournalJournal of Molecular Spectroscopy
Volume68
Issue number1
DOIs
Publication statusPublished - 1 Jan 1977
Externally publishedYes

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Hamiltonians
polyatomic molecules
Molecules
Electrons
coordinate transformations
impulses
molecules
electrons

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Physical and Theoretical Chemistry

Cite this

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abstract = "The transformation of the total electron-nuclear Hamiltonian of a polyatomic molecule, both for nonlinear and linear molecules, to the intramolecular vibrational and rotational coordinates has been made on the basis of the formulas for coordinate and impulse transformations from the space-fixed system of reference to the molecule-fixed one.",
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