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

V. I. Starikov, Vl G. Tyuterev

    Research output: Contribution to journalArticle

    1 Citation (Scopus)

    Abstract

    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)
    Volume88
    Issue number5
    DOIs
    Publication statusPublished - May 2000

    Fingerprint

    Hamiltonians
    Molecules
    molecules
    Angular momentum
    vibrational states
    quantum numbers
    Mathematical operators
    polynomials
    angular momentum
    Polynomials
    operators

    ASJC Scopus subject areas

    • Spectroscopy
    • Atomic and Molecular Physics, and Optics

    Cite this

    Transformation of the Effective Rotational Hamiltonian of Nonrigid X 2Y Molecules. / Starikov, V. I.; Tyuterev, Vl G.

    In: Optics and Spectroscopy (English translation of Optika i Spektroskopiya), Vol. 88, No. 5, 05.2000, p. 686-691.

    Research output: Contribution to journalArticle

    @article{2f2a64011c1e43b58e1bfad13d6e322e,
    title = "Transformation of the Effective Rotational Hamiltonian of Nonrigid X 2Y Molecules",
    abstract = "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.",
    author = "Starikov, {V. I.} and Tyuterev, {Vl G.}",
    year = "2000",
    month = "5",
    doi = "10.1134/1.626860",
    language = "English",
    volume = "88",
    pages = "686--691",
    journal = "Optics and Spectroscopy (English translation of Optika i Spektroskopiya)",
    issn = "0030-400X",
    publisher = "Springer Science + Business Media",
    number = "5",

    }

    TY - JOUR

    T1 - Transformation of the Effective Rotational Hamiltonian of Nonrigid X 2Y Molecules

    AU - Starikov, V. I.

    AU - Tyuterev, Vl G.

    PY - 2000/5

    Y1 - 2000/5

    N2 - 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.

    AB - 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.

    UR - http://www.scopus.com/inward/record.url?scp=0141560763&partnerID=8YFLogxK

    UR - http://www.scopus.com/inward/citedby.url?scp=0141560763&partnerID=8YFLogxK

    U2 - 10.1134/1.626860

    DO - 10.1134/1.626860

    M3 - Article

    VL - 88

    SP - 686

    EP - 691

    JO - Optics and Spectroscopy (English translation of Optika i Spektroskopiya)

    JF - Optics and Spectroscopy (English translation of Optika i Spektroskopiya)

    SN - 0030-400X

    IS - 5

    ER -