On the determination of spectroscopic constants as functions of intramolecular parameters

A. E. Cheglokov, O. N. Ulenikov, A. S. Zhilyakov, V. N. Cherepanov, Y. S. Makushkin, A. B. Malikova

Research output: Contribution to journalArticle

38 Citations (Scopus)

Abstract

The symmetrised form of the operator Van Vleck perturbation theory is considered (the irreducible tensorial set theory is used as the mathematical basis of this consideration). General formulae which define spectroscopic rotational, centrifugal and resonance constants of molecules as functions of reduced matrix elements of vibrational operators are obtained. Algorithms for the ES-1055 computer have been derived on the basis of the formulae obtained, and a system of analytical calculations using the language 'REDUCE' has been created. The dyad and pentad of the CH4-type molecule are considered for illustration. Formulae are obtained which connect spectroscopic and intramolecular constants not only for isolated but also for interacting vibrational states.

Original languageEnglish
Article number009
Pages (from-to)997-1015
Number of pages19
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume22
Issue number7
DOIs
Publication statusPublished - 1989

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physics and Astronomy(all)

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