MOLECULAR ELECTRIC PROPERTIES AND NUCLEAR AND VIBRATIONAL-RELAXATION - AN AB-INITIO STUDY OF HF, CH4 AND C2H4

Authors
MARTI J ANDRES JL BERTRAN J DURAN M
Citation
J. Marti et al., MOLECULAR ELECTRIC PROPERTIES AND NUCLEAR AND VIBRATIONAL-RELAXATION - AN AB-INITIO STUDY OF HF, CH4 AND C2H4, Molecular physics, 80(3), 1993, pp. 625-633
Citations number
21
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
80
Issue
3
Year of publication
1993
Pages
625 - 633
Database
ISI
SICI code
0026-8976(1993)80:3<625:MEPANA>2.0.ZU;2-J
Abstract
The effects of nuclear relaxation and change in vibrational molecular energy are accounted for in the theoretical determination of the molec ular properties of HF, CH4, and C2H4. A method based on a finite-diffe rence technique is employed. An analysis of the influence of these con tributions versus the purely electronic contribution is made, together with an appraisal of the effect of vibrational excitation.