Rotational-vibrational polarizability operator for nonlinear X2Y molecules

Application to the calculation of the Raman spectrum of the H 2O molecule

V. I. Starikov, A. E. Protasevich

    Research output: Contribution to journalArticle

    Abstract

    For nonlinear X2Y molecules, an expression for the transformed polarizability operator is obtained with an accuracy of up to the second order of the theory of perturbation. This operator is applied to the calculation of the intensities of Raman lines of the H2O molecule. The corrections to the polarizability of the molecule associated with the vibrational-rotational interaction are shown to considerably change the integral intensity of a pure rotational band. The dependence of the average polarizability of the molecule on the vibrational quantum number V2, describing deformation vibrations, is estimated.

    Original languageEnglish
    Pages (from-to)9-15
    Number of pages7
    JournalOptics and Spectroscopy (English translation of Optika i Spektroskopiya)
    Volume97
    Issue number1
    DOIs
    Publication statusPublished - Jul 2004

    Fingerprint

    Raman scattering
    Raman spectra
    operators
    Molecules
    molecules
    quantum numbers
    Mathematical operators
    perturbation
    vibration
    interactions

    ASJC Scopus subject areas

    • Spectroscopy
    • Atomic and Molecular Physics, and Optics

    Cite this

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    abstract = "For nonlinear X2Y molecules, an expression for the transformed polarizability operator is obtained with an accuracy of up to the second order of the theory of perturbation. This operator is applied to the calculation of the intensities of Raman lines of the H2O molecule. The corrections to the polarizability of the molecule associated with the vibrational-rotational interaction are shown to considerably change the integral intensity of a pure rotational band. The dependence of the average polarizability of the molecule on the vibrational quantum number V2, describing deformation vibrations, is estimated.",
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    year = "2004",
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    AU - Protasevich, A. E.

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    AB - For nonlinear X2Y molecules, an expression for the transformed polarizability operator is obtained with an accuracy of up to the second order of the theory of perturbation. This operator is applied to the calculation of the intensities of Raman lines of the H2O molecule. The corrections to the polarizability of the molecule associated with the vibrational-rotational interaction are shown to considerably change the integral intensity of a pure rotational band. The dependence of the average polarizability of the molecule on the vibrational quantum number V2, describing deformation vibrations, is estimated.

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