Recent Applications of Spin-Coupled Valence Bond Theory to Charge Transfer Collisions

Authors

D. L. Coopert, University of Liverpool
Nick J. Clarke, University of Liverpool
P. C. Stancil, University of GeorgiaFollow
Bernard Zygelman, University of Nevada, Las VegasFollow

Document Type

Book Section

Publication Date

2001

Publication Title

Advances in Quantum Chemistry

Publisher

Academic Press

Volume

40

First page number:

37

Last page number:

48

Abstract

We survey the spin-coupled valence (SCVB) approach to the calculation of potential curves and nonadiabatic couplings for charge transfer in collisons of multiply-charged ions with neutral atomic targets. Subsequent fully-quantal close-coupling scattering calculations may be performed after transformation to a particularly convenient diabatic basis, and we outline how this is achieved. Various aspects of the SCVB methodology are illustrated by means of new calculations for the N²⁺/He system. Target isotope effects are also discussed briefly, taking the Si(3s)/He system as a representative example.

Language

English

Repository Citation

Coopert, D. L., Clarke, N. J., Stancil, P. C., Zygelman, B. (2001). Recent Applications of Spin-Coupled Valence Bond Theory to Charge Transfer Collisions. Advances in Quantum Chemistry, 40 37-48. Academic Press.
http://dx.doi.org/10.1016/S0065-3276(01)40008-6