Fourth-order rotational corrections to the effective dipole moments of nonrigid asymmetric rotors

V. I. Starikov

    Research output: Contribution to journalArticle

    10 Citations (Scopus)

    Abstract

    An expression for the fourth-order rotational correction terms of the effective dipole moments of nonrigid asymmetric rotors has been derived using the method of contact transformation. The treatment takes into account the large-amplitude bending motion. The correction terms have been calculated for the different bending states of the H2O molecule. A poor convergence of the rotational series for this molecule has been obtained and some different nonpolynomial forms for these series, obtained by different summation methods, have been proposed and tested.

    Original languageEnglish
    Pages (from-to)166-171
    Number of pages6
    JournalJournal of Molecular Spectroscopy
    Volume206
    Issue number2
    DOIs
    Publication statusPublished - 2001

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    Dipole moment
    rotors
    dipole moments
    Rotors
    Molecules
    molecules

    Keywords

    • Convergence properties
    • Dipole moment
    • HO
    • Nonrigid asymmetric molecule
    • Rotational corrections

    ASJC Scopus subject areas

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

    Cite this

    Fourth-order rotational corrections to the effective dipole moments of nonrigid asymmetric rotors. / Starikov, V. I.

    In: Journal of Molecular Spectroscopy, Vol. 206, No. 2, 2001, p. 166-171.

    Research output: Contribution to journalArticle

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