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

Authors

  • Arnestar Syiemiong North-Eastern Hill university, Shillong
  • Shailes Swer
  • Ashok Kumar Jha
  • Heinz-Peter Liebermann
  • Robert J. Buenker
  • Atul Saxena

Keywords:

MRDCI, Potential energy curves, transition dipole moment

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.

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Published

2019-10-31

Issue

Vol. 9 No. 1 (2020)

Section

Research Article

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