Ab initio calculations of the potential-energy curves of the low-lying states of NeC2+, ArC2+, NeO2+ and ArO2+

Abstract

Ab initio calculations, including configuration interaction, have been carried out to predict the potential-energy curves of the low-lying states of NeC²⁺, ArC²⁺, NeO²⁺ and ArO²⁺. The results are used to discuss mass-spectrometric charge-stripping experiments carried out to prepare and characterize these dications, and are compared with potential-energy curves calculated by a semiempirical method.