Application of perturbation theory to coupled Morse oscillators

Citation
Md. Radicioni et al., Application of perturbation theory to coupled Morse oscillators, THEOCHEM, 488, 1999, pp. 37-49
Citations number
46
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
01661280 → ACNP
Volume
488
Year of publication
1999
Pages
37 - 49
Database
ISI
SICI code
0166-1280(19991001)488:<37:AOPTTC>2.0.ZU;2-W
Abstract
We apply perturbation theory by the moment method to two-dimensional anharm onic oscillators that exhibit non-degenerate and strongly mixed near-degene rate unperturbed states. Simple recurrence relations give the perturbation corrections to the energy and moments of the selected state. We explicitly consider the vibrational energy levels of coupled Morse oscillators, parame trized for the two stretching modes SO2 and H2O, and discuss the applicatio n of the method to more general problems. (C) 1999 Elsevier Science B.V. Al l rights reserved.