Correlation between electronic and molecular structure distortions and vibrational properties. I. Adiabatic approximations

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    Abstract

    The perturbation theory was applied to study the distortions of the electronic and molecular structures of a polarizable molecule. The coupled differential equations for the vibrational wave functions were obtained with the help of adiabatic approximations. The effects of electrostatic potential on vibrational properties were discussed. The relationship between the vibrational frequency shift and molecular structural distortion was also discussed.

    Original languageEnglish
    Pages (from-to)3480-3490
    Number of pages11
    JournalJournal of Chemical Physics
    Volume118
    Issue number8
    DOIs
    Publication statusPublished - 2003 Feb 22

    ASJC Scopus subject areas

    • General Physics and Astronomy
    • Physical and Theoretical Chemistry

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