MRDCI Study of Doublet States of CO+ Ion and Its Spectroscopic Properties

Arnestar Syiemiong; Shailes Swer; Ashok Kumar Jha; Heinz-Peter Liebermann; Robert J. Buenker; Atul Saxena

Abstract

The potential energy curves of 2 +   , 2   , 2 +   , C  and 2 D  electronic states of CO+ion have been calculated using the multi-reference single and double excitation configurationinteractionmethod (MRDCI). The potential energy curves and transition dipole moment havebeen calculated in the range of 1.6 to 7.0 a0 internuclear distance (R). The calculatedpotential energy curves found to converge smoothly to the correct dissociation channel. Thepotential energy curves and transition dipole moment are used as the input in the Level 8.0program of R. J. Le Roy for the spectroscopic studies of CO+ ion.Keywords: MRDCI, spectroscopic, electronic states, transition, potential energyCite this ArticleArnestar Syiemiong, Shailes Swer, Ashok Kumar Jha, Heinz-Peter Liebermann, Robert J. Buenker, Atul Saxena. MRDCI Study of Doublet States of CO+ Ion and Its Spectroscopic Properties. Research & Reviews: Journal of Physics. 2020; 9(1): 1–10p.