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
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.