Electric field dissociation of H-2(+): close-coupled scattering calculations

Citation
Ca. Leach et al., Electric field dissociation of H-2(+): close-coupled scattering calculations, MOLEC PHYS, 97(1-2), 1999, pp. 11-24
Citations number
32
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
97
Issue
1-2
Year of publication
1999
Pages
11 - 24
Database
ISI
SICI code
0026-8976(19990710)97:1-2<11:EFDOHC>2.0.ZU;2-R
Abstract
Close-coupling scattering calculations have been carried out to predict the magnitude of electric fields required to dissociate specific vibration-rot ation levels in H-2(+). Results for electric fields up to 40 kV cm(-1), whi ch may dissociate levels up to 25 cm(-1) below the dissociation limit, are presented. The results are used to simulate spectra which are compared with experimental spectra. A method for extracting the eigenphase sum from a co upled channel scattering calculation is described in the appendix and used in the calculations.