Abstract
Theoretical investigations on single charge-transfer processes in collisions of and its reverse process have been carried out at collision energies from . The molecular orbital expansion method within the semiclassical impact parameter formalism has been employed for the scattering dynamics, while the ab initio multireference single- and double-excitation configuration interaction (MRD-CI) method was adopted for determination of molecular electronic states. The initial channels correspond to the quintet and triplet states for the corresponding collision processes, respectively. Four molecular states in the quintet manifold and eight molecular states in the triplet manifold were coupled. In the quintet manifold, the charge-transfer cross sections for range from at at . The cross sections of the reverse process, , range from in the same energy range. In the triplet states, the charge-transfer cross sections for range from , and its reverse process gives charge-transfer cross sections ranging from .
5 More- Received 19 July 2005
DOI:https://doi.org/10.1103/PhysRevA.72.052715
©2005 American Physical Society