Reduced effective Hamiltonians for degenerate excited vibrational states of tetrahedral molecules: application to 2v2,v2+v4and 2v4of CH4
作者:
Vl.G. Tyuterev,
J.P. Champion,
G. Pierre,
期刊:
Molecular Physics
(Taylor Available online 1990)
卷期:
Volume 71,
issue 5
页码: 995-1020
ISSN:0026-8976
年代: 1990
DOI:10.1080/00268979000102281
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The ambiguities of the effective Hamiltonians for isolated doubly excited vibrational states of bending modes of tetrahedral molecules are investigated theoretically. Reduced forms of these Hamiltonians and invariant parameters are proposed. The theoretical conclusions are tested by actual fits of experimental data for the 2v2,vIn2 +v4and 2v4bands of12CH4. The experimental behaviours of fitted parameters are found to be in satisfactory agreement with theory. The results obtained, which represent one step of the comprehensive study of the so-called pentad, lead to significant improvements not only in the convergence of least squares but also in the accurate understanding of the physical meaning of specroscopic parameters. A generalization to states includingnquanta of thev1mode is outlined.
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