FURTHER ANALYSIS OF EFFECTIVE HAMILTONIANS FOR TRIPLY DEGENERATE FUNDAMENTALS OF TETRAHEDRAL MOLECULES. UNAMBIGUOUS FIT OF $q^{2}J^{5}$ AND $q^{2}J^{6}$ TERMS FOR $\nu_{4}$ OF $^{12}CH_{4}$
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Date
1985
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Publisher
Ohio State University
Abstract
The further study of ambiguities among $q^{2} J^{5}$ and $q^{2} J^{6}$ terms in effective Hamiltonians for triply degenerate fundamentals of tetrahedral molecules is presented. It is shown that, in agreement with theory, $q^{2}J^{5}$ and $q^{2}J^{6}$ diagonal coupling parameters cannot be considered as constants having definite values for a given $F_{2}$ vibrational state, just like $q^{2}J^{4}$ terms previously studied (VI. G. TYUTEREV, J. P. CHAMPION, G. PIERRE and V. L. PEREVALOV, J. Mol. Spectroso. 105, 113-138 (1984)). The use of reduced Hamiltonians containing fewer (but unambiguous) parameters is suggested and applied to the $\nu_{4}$ band of $^{12}CH_{4}$.
Description
Author Institution: Laboratory of Spectroscopy, Institute of Atmospheric Optics, Siberian Branch Acad. Sci. USSR; Laboratoire de Spectronomie Mol\'{e}culaire, Unit\'e de Recherche associ\'ee au CNRS, Universit\'e de Dijon; Laboratoire de Spectronomie Mol\'{e}culaire, Unit\'{e} de Recherche associ\'{e}e au CNRS, Universit\'e de Dijon; Laboratory of Spectroscopy, Institute of Atmospheric Optics, Siberian Branch Acad. Sci. USSR; Chemistry Department, MOSCOW State University