EXPLORING MOLECULAR VIBRATIONAL MOTIONS WITH PERIODIC-ORBITS

Authors
Citation
Sc. Farantos, EXPLORING MOLECULAR VIBRATIONAL MOTIONS WITH PERIODIC-ORBITS, International reviews in physical chemistry, 15(2), 1996, pp. 345-374
Citations number
151
Categorie Soggetti
Chemistry Physical
ISSN journal
0144235X
Volume
15
Issue
2
Year of publication
1996
Pages
345 - 374
Database
ISI
SICI code
0144-235X(1996)15:2<345:EMVMWP>2.0.ZU;2-R
Abstract
The theory of periodic orbits for conservative Hamiltonian systems and the way that it is applied to analyse vibrational spectra of highly e xcited polyatomic molecules is reviewed. Applications for triatomic, t etratomic molecules and van der Waals clusters are presented. It is sh own that the periodic orbit method can trace localized eigenfunctions above potential barriers which are associated with saddle-node bifurca tions. Such states connect separate minima on the potential energy sur face, and thus, are important for studying isomerization processes.