Quantum charge transfer study of triply charged ions in the adiabatic representation: the (BHe)(3+) system

Citation
A. Lopez-castillo et al., Quantum charge transfer study of triply charged ions in the adiabatic representation: the (BHe)(3+) system, J BRAZ CHEM, 9(5), 1998, pp. 449-454
Citations number
31
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
ISSN journal
01035053 → ACNP
Volume
9
Issue
5
Year of publication
1998
Pages
449 - 454
Database
ISI
SICI code
0103-5053(199809/10)9:5<449:QCTSOT>2.0.ZU;2-E
Abstract
Full quantum charge transfer study of the process B3+ + He --> B2+ + He+ ha s been investigated in the collision energy range 1-102 eV using an ab-init io interaction potential. A new method to solve the Schrodinger equation in an adiabatic basis was used, where the radial and rotational coupling were taken into account, and the importance of the coupling between states of d ifferent symmetry was discussed. Moreover, by using the well known Landau-Z ener model, it wets concluded that the two state model cannot be applied fo r the present system, and this might indicate that such a model should be a pplied carefully for other systems when a charge transfer process is consid ered. Finally, the quantum total cross sections were compared with the prev ious published work of Gargaud and co-workers and a fair agreement was achi eved.