SYMMETRY OF MOLECULAR-PROPERTIES .1. THEORY AND APPLICATIONS TO VIBRATION-ROTATION PROPERTIES OF SPHERICAL TOP MOLECULES

Citation
F. Michelot et T. Schwartzmann, SYMMETRY OF MOLECULAR-PROPERTIES .1. THEORY AND APPLICATIONS TO VIBRATION-ROTATION PROPERTIES OF SPHERICAL TOP MOLECULES, Molecular physics, 80(6), 1993, pp. 1269-1296
Citations number
49
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
80
Issue
6
Year of publication
1993
Pages
1269 - 1296
Database
ISI
SICI code
0026-8976(1993)80:6<1269:SOM.TA>2.0.ZU;2-9
Abstract
The symmetry of coefficients in the expansion of a given molecular pro perty are shown to be obtainable through well defined tenser methods. The analytical expansions required of various vibrational and rotation al tensors are given up to the fourth degree in dynamical variables. T o illustrate the method, some rovibrational properties of spherical to ps are considered. The symmetry of the associated molecular constants is expressed, simultaneously, for XY(4) and XY(6) molecules, by algebr aic relations involving the independent constants and the coupling sym bols of the molecular symmetry group. To allow comparisons, some examp les are given for which the symmetry of the constants has been publish ed already in the form of tables; the more complicated cases of the th ird order L tensor elements and of the quintic potential derivatives a re also considered.