MRD-CI-study of the positive molecular ions ArHe+ and ArHe2+

The system ArHe+ is investigated, in particular the charge-transfer reactions which have been shown to occur experimentally, This paper explains the charge-transfer reactions theoretically, both the energetic behaviour as well as the kind of molecular mechanism which is responsible for it. This is done by calculating the potential curves for several 2Σ+ - and 2PI-states of the molecular ion by employing the MRD-CI method. The scattering process is treated in a molecular framework and the validity of the Born-Oppenheimer approximation is thereby assumed. (UK)