Transformation of the Effective Rotational Hamiltonian of Nonrigid X 2Y Molecules

V. I. Starikov, Vl G. Tyuterev

    Research output: Contribution to journalArticlepeer-review

    1 Citation (Scopus)


    The transformation of the effective rotational Hamiltonian H of nonrigid X2Y molecules to the form having a minimum number of diagonals in the basis of rotational functions of a symmetric top is discussed. Such a transformation is a generalization of the reduction transformation performed for the polynomial effective Hamiltonian H. It is shown that in the general case the transformation substantially changes the form of the initial Hamiltonian, which restricts the region of applicability (J < J*) of the reduced Hamiltonian represented in a class of elementary functions in terms of angular momentum operators. The values of the rotational quantum number J* are estimated for the (000) ground and (010) vibrational states of the H2O molecule.

    Original languageEnglish
    Pages (from-to)686-691
    Number of pages6
    JournalOptics and Spectroscopy (English translation of Optika i Spektroskopiya)
    Issue number5
    Publication statusPublished - May 2000

    ASJC Scopus subject areas

    • Spectroscopy
    • Atomic and Molecular Physics, and Optics

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