Abstract
As a first step towards a collective treatment of charge flow in atomic collisions, we constructab initio potential energy surfaces as a function of the internuclear distance and the charge asymmetry between the two atomic species. To this end, the charge asymmetry off its stability value for a given nuclear separation is imposed upon the system by a suitable constraint within a two-centre Hartree-Fock calculation. Energy surfaces are presented for the systems LiH, HF, LiF, and CO. This representation offers a conceptual framework for visualising ionic or covalent molecular states and trajectories describing charge-changing collisions.
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Eichler, J., Ho, T.S. Collective effects in atomic collisions. Z Physik A 311, 19–27 (1983). https://doi.org/10.1007/BF01411602
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DOI: https://doi.org/10.1007/BF01411602