A local mode description of anharmonic vibrational excitations in linear molecules

Authors
Citation
R. Lemus et A. Frank, A local mode description of anharmonic vibrational excitations in linear molecules, CHEM PHYS, 242(1), 1999, pp. 25-35
Citations number
40
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS
ISSN journal
03010104 → ACNP
Volume
242
Issue
1
Year of publication
1999
Pages
25 - 35
Database
ISI
SICI code
0301-0104(19990315)242:1<25:ALMDOA>2.0.ZU;2-X
Abstract
We have recently proposed a symmetry adapted local mode model to describe v ibrational excitations in polyatomic molecules. The model was initially res tricted to the description of non-linear (and non-planar) polyatomic molecu les. In this work we extend the symmetry-adapted algebraic approach to incl ude linear molecules. In the harmonic limit the model reduces to the standa rd spectroscopic methods for molecular vibrations. Results for the triatomi c molecules HCN and CO2 are reported. (C) 1999 Elsevier Science B.V. All ri ghts reserved.