RADIAL PROBABILITY-DISTRIBUTIONS OF ATOMS IN DIATOMIC-MOLECULES REPRESENTED BY THE ROTATING MORSE AND TIETZ-HUA OSCILLATORS

Citation
Fj. Gordillovazquez et Ja. Kunc, RADIAL PROBABILITY-DISTRIBUTIONS OF ATOMS IN DIATOMIC-MOLECULES REPRESENTED BY THE ROTATING MORSE AND TIETZ-HUA OSCILLATORS, Journal of molecular structure. Theochem, 425(3), 1998, pp. 263-270
Citations number
5
Categorie Soggetti
Chemistry Physical
ISSN journal
01661280
Volume
425
Issue
3
Year of publication
1998
Pages
263 - 270
Database
ISI
SICI code
0166-1280(1998)425:3<263:RPOAID>2.0.ZU;2-M
Abstract
Radial probability distributions of diatomic molecules in excited rota tional-vibrational states are derived using the Bohr-Sommerfeld quanti zation rule and the Hamilton-Jacoby theory. The obtained semiclassical distributions for the rotating Morse and Tietz-Hua oscillators are co mpared, in a broad range of rotational and vibrational quantum numbers , with one another and with quantum-mechanical distributions obtained from numerical solution of the Schrodinger equation using an RKR poten tial. (C) 1998 Elsevier Science B.V.