Calculation of the Vibrational-Rotational Energy Structure of Molecules with Tetrahedral Symmetry of the Type XY4

E. S. Bekhtereva, O. V. Gromova, Natalia Ivanovna Raspopova, Irina Batorovna Bolotova, Yu V. Krivchikova, K. B. Berezkin

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Abstract

On the basis of the formalism of irreducible tensor operators in symmetrized form, a Hamiltonian has been constructed, an algorithm has been developed, and a software package has been created that allows the calculation of high-resolution spectra for various polyads of interacting vibrational states and also makes it possible to interpret the spectra and solve the inverse spectroscopic problem for molecules with tetrahedral symmetry.

Original languageEnglish
Pages (from-to)969-972
Number of pages4
JournalRussian Physics Journal
Volume57
Issue number7
DOIs
Publication statusPublished - 1 Jan 2014

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Keywords

  • effective operator model
  • molecules with tetrahedral symmetry
  • vibrational-rotational spectra

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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