On isotope effects in polyatomic molecules. Some comments on the method

A. D. Bykov, Yu S. Makushkin, O. N. Ulenikov

Research output: Contribution to journalArticle

59 Citations (Scopus)

Abstract

The quantum mechanical expressions for the Hamiltonians of various isotope modifications of a polyatomic molecule are transformed to the coordinate systems connected with the molecules. Such coordinate transformations selected in the proper way permit all Hamiltonians His to be expressed as functions of the parameters r 0, lNαλ, ζλμ α, kλ⋯μ of one of them. Isotopic relations for the parameters of Watson's Hamiltonian (Mol. Phys. 15, 479-490 (1968)) of an arbitrary isotopic modification of a molecule are determined.

Original languageEnglish
Pages (from-to)462-479
Number of pages18
JournalJournal of Molecular Spectroscopy
Volume85
Issue number2
DOIs
Publication statusPublished - 1981
Externally publishedYes

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Hamiltonians
polyatomic molecules
Isotopes
isotope effect
Molecules
coordinate transformations
molecules
isotopes

ASJC Scopus subject areas

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

Cite this

On isotope effects in polyatomic molecules. Some comments on the method. / Bykov, A. D.; Makushkin, Yu S.; Ulenikov, O. N.

In: Journal of Molecular Spectroscopy, Vol. 85, No. 2, 1981, p. 462-479.

Research output: Contribution to journalArticle

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