On the elimination of spurious modes in algebraic models of molecular vibrations

Citation
A. Frank et al., On the elimination of spurious modes in algebraic models of molecular vibrations, J MOL SPECT, 196(2), 1999, pp. 329-334
Citations number
25
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
JOURNAL OF MOLECULAR SPECTROSCOPY
ISSN journal
00222852 → ACNP
Volume
196
Issue
2
Year of publication
1999
Pages
329 - 334
Database
ISI
SICI code
0022-2852(199908)196:2<329:OTEOSM>2.0.ZU;2-S
Abstract
Spurious states arise naturally in the description of molecular vibrational excitations. In the harmonic approximation such states can be projected ou t from the physical space exactly. This is in general not the case when anh armonic interactions are considered. We show that within the framework of t he symmetry, adapted vibron models which include anharmonicities from the o utset, these states can be removed in an exact fashion, (C) 1999 Academic P ress.