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Expressions of Effective Hamiltonian Parameters of XY4Molecules in the Tetrahedral Formalism

✍ Scribed by A. Mourbat; M. Loëte

Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
374 KB
Volume
189
Category
Article
ISSN
0022-2852

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✦ Synopsis

We have derived expressions of second-order effective Hamiltonian parameters of XY4 molecules in the tetrahedral formalism (1992, J. P. Champion et al., "Spectroscopy of the Earth's Atmosphere and Interstellar Medium: Spherical Top Spectra," Academic Press, San Diego). They are written as a function of the force constants of the potential expanded in terms of the dimensionless normal coordinates. These expressions can be used in the isolated band scheme as well as in the polyad one. The ambiguity of the effective Hamiltonian parameters is treated. Relations between the parameters for q2 and q4 terms and Hecht's anharmonicity constants (1960, K. T. Hecht, J. Mol. Spectrosc. 5, 355-389) in the isolated band scheme are established. Copyright 1998 Academic Press.

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