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MRDCI Study of Doublet States of CO+ Ion and Its Spectroscopic Properties
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 configurationinteraction
method (MRDCI). The potential energy curves and transition dipole moment have
been calculated in the range of 1.6 to 7.0 a0 internuclear distance (R). The calculated
potential energy curves found to converge smoothly to the correct dissociation channel. The
potential energy curves and transition dipole moment are used as the input in the Level 8.0
program of R. J. Le Roy for the spectroscopic studies of CO+ ion.
Keywords: MRDCI, spectroscopic, electronic states, transition, potential energy
Cite this Article
Arnestar 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.
Keywords
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