ROTATION-VIBRATION HAMILTONIANS OF TRIATOMIC MOLECULES.
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Date
1967
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Publisher
Ohio State University
Abstract
Two formulations have been used so far in quantum mechanical studies of the rotation-vibration of non-linear triatomic molecules: the first formulation uses the rotation-vibration Hamiltonian for polyatomic molecules established by Darling and $Dennison^{1}$ according to a method proposed by Wilson and $Howard^{2}$; the second formulation makes use of the Hamiltonian for the three-body problem as proposed by H. Diehl, S. Flugge, U. Schr\""{o}der. A. V\""{o}lkel and A. $Weiguny.^{2}$ We have written down, for the rotation-vibration of non-linear triatomic molecules, a general Hamiltonian which holds for an arbitrary choice of both the set of internal coordinates and the molecule-fixed rotating framework. This general Hamiltonian includes as special cases the two formulations described above and it allows a better understanding of the relations existing between them. These relations will be discussed.
Description
$^{1}$ B. T. Darling and D. M. Dennison, Phys. Rev., 57, 128 (1940). $^{2}$ E. B. Wilson. Jr. and J. B. Howard, J. Chem. Phys., 4, 260 (1936). $^{3}$ H. Diehl, S. Flugge, U. Schroder, A. Volkel and A. Weigung, Zeitshrift fur Physik, 162, 1 (1961): S. Flugge and A. Weiguny, Zeitschrift fur Physik, 162, 15 (1961) and 171, 171 (1963); A. Weiguny, Journal of Molecular Spectroscopy, 15, 1 (1965).
Author Institution: Laboratoire de Spectroscopie Mol\'{e}culaire, Facult\'{e} des Sciences de Paris France
Author Institution: Laboratoire de Spectroscopie Mol\'{e}culaire, Facult\'{e} des Sciences de Paris France