Recent applications of spin-coupled valence bond theory to charge transfer collisions

Citation data:

Advances in Quantum Chemistry, ISSN: 0065-3276, Vol: 40, Page: 37-48

Publication Year:
2001
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Citations 15
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Repository URL:
https://digitalscholarship.unlv.edu/physastr_fac_articles/36; http://ezproxy.library.unlv.edu/login?url=https://doi.org/10.1016/S0065-3276(01)40008-6
DOI:
10.1016/s0065-3276(01)40008-6
Author(s):
David L. Coopert; Nick J. Clarke; Phillip C. Stancil; Bernard Zygelman
Publisher(s):
Elsevier BV; Academic Press
Tags:
Chemistry
article description
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 N 2+ /He system. Target isotope effects are also discussed briefly, taking the Si(3s)/He system as a representative example.