Abstract
We present calculation of the electronic energies and dynamical couplings for the quasimolecule CHe2+, necessary to evaluate charge transfer cross sections in C2++He collisions. Using the MELD ab initio program, an all-electron configuration interaction method has been employed to calculate the molecular wavefunctions. The program has been modified to implement a numerical differentiation technique to evaluate the radial couplings. We discuss the usefulness of a one-electron picture to explain the mean features of the electronic-energies correlation diagrams. Electron translation factors have been included in the calculation of the (strongly origin-dependent) dynamical couplings.
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More From: Journal of Physics B: Atomic, Molecular and Optical Physics
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