AB-INITIO MOLECULAR TREATMENT OF BE4-H-2 COLLISIONS()

Authors
MACIAS A ERREA LF GORFINKIEL JD MENDEZ L RIERA A
Citation
A. Macias et al., AB-INITIO MOLECULAR TREATMENT OF BE4-H-2 COLLISIONS(), Journal of molecular structure. Theochem, 433, 1998, pp. 169-180
Citations number
31
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
433
Year of publication
1998
Pages
169 - 180
Database
ISI
SICI code
0166-1280(1998)433:<169:AMTOBC>2.0.ZU;2-3
Abstract
We present ab initio molecular energies and all dynamical couplings re quired for a multistate treatment of charge transfer in the reaction o f Be4+ ions with H-2 molecules in the range of 50 eV amu(-1) to 1 keV amu(-1). Vibrationally resolved partial cross sections are given. (C) 1998 Elsevier Science B.V. All rights reserved.