CHARACTERIZATION OF VIBRATIONAL TRANSITION MODES BY USE OF NORMAL FORMS

Citation
S. Abbate et al., CHARACTERIZATION OF VIBRATIONAL TRANSITION MODES BY USE OF NORMAL FORMS, Theoretica Chimica Acta, 87(3), 1993, pp. 215-232
Citations number
29
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00405744
Volume
87
Issue
3
Year of publication
1993
Pages
215 - 232
Database
ISI
SICI code
0040-5744(1993)87:3<215:COVTMB>2.0.ZU;2-9
Abstract
In this paper we use the Birkhoff-Gustavson perturbation theory to ana lyze the vibrational modes of two linearly coupled Morse oscillators i n the transition region from normal modes to local modes. Our study is based on: truncation of the Hamiltonian written in normal mode coordi nates at the 4th order, transformation to normal form and analytical s tudy; construction and use of the approximate integrals of motion of t he exact Hamiltonian according to Birkhoff and Gustavson theory. By co mparison with a previous analytical study, we demonstrate that perturb ation theory, based either on local or normal modes can be used to acc urately describe transition modes.