✦ LIBER ✦

Systematic Calculation of Vibration-Rotation Energy Levels of a Linear Molecule with Two Bending Modes

✍ Scribed by M. Niedenhoff; K.M.T. Yamada

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 522 KB
Volume: 157
Category: Article
ISSN: 0022-2852
DOI: 10.1006/jmsp.1993.1015

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✦ Synopsis

Computational procedures for calculating the rovibrational energy levels of a polyatomic linear molecule are presented for the excited bending vibrational states including the states where the two bending modes are simultaneously excited by any number of quanta. The effective Hamiltonian of Yamada el al. (J. Mol. Spectrosc. 112, 347-356 (1985)) is modified and the results derived there are extended. The careful handling of the phase of the wavefunction and an extension to the excitation of three bending modes are also discussed. 1993 Academic Press, Inc.

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