Electron Capture in Collisions of S with H+

L. Zhao*, P.C. Stancil†, J.P. Gu1), P. Funke1), R.J. Buenker1)**, and M. Kimura2)††

Dept. of Physics and Astronomy and the Center for Simulational Physics, The University of Georgia, Athens, GA 30602-2451, USA
(1)Theoretische Chemie, Bergische Universität Wuppertal, D-42097 Wuppertal, Germany
(2)Graduate School of Sciences, Kyushu University, Fukuoka 812-8581, Japan

Within the framework of a fully quantum mehcanical molecular-orbital close-coupling (MOCC) theory, charge transfer has been studied in collisions of S with H+. The multireference single- and double-excitation configuration-interaction method is utilized to evaluate the adiabatic potentials and nonadiabatic coupling matrix elements for SH+ system. Cross sections and rate coefficients are presented for processes S(3P, 1D) + H+ → S+(2P, 2D) + H with relative collision energies between 1 meV/u and 10 keV/u and temperatures between 20 K and 2.0×106 K. The investigation shows that the charge transfer process is dominated by the S(3P) + H+ → S+(2P) + H and the charge transfer cross sections and rate coefficients vary in magnitude over a wide energy and temperature range. Comparison has been made with results from other theoretical methods.


*Electronic address: zhao@physast.uga.edu
†Electronic address: stancil@physast.uga.edu
**Electronic address: buenker@uni-wuppertal.de
††Electronic address: mineo@po.cc.yamaguchi-u.ac.jp