On the determination of the reduced rotational operator for polyatomic molecules

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Abstract

Irreducible tensorial sets are used for constructing the reduced rotational Hamiltonian of the molecule, i.e., for obtaining the Hamiltonian with independent rotational, centrifugal distortion, and resonance parameters. General formulas are obtained which allow one to do this, and are valid for molecules of any symmetry. As an illustration of the general results, molecules of Td symmetry are considered.

Original languageEnglish
Pages (from-to)144-152
Number of pages9
JournalJournal of Molecular Spectroscopy
Volume119
Issue number1
DOIs
Publication statusPublished - 1986

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ASJC Scopus subject areas

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

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