A THEORETICAL STUDY OF POTENTIAL ENERGY CURVES AND TRANSITION DIPOLE MOMENT OF THE CO+ ION

Abstract

Ab initio calculations were performed for several doublet states of the CO⁺ cation using the multi reference single and double excitation configuration-interaction (MRDCI) method. The dipole transition matrix elements for ²Î£⁺ and ²Î  states have been calculated and the molecular properties of the CO⁺ cation have been studied in detail. The calculated results show good agreement of with available experimental measurements as well as other theoretical results.