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1 article for “MRDCI”

• Published Subscription 31 Oct 2019

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

  By 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 …

  Published in Research & Reviews : Journal of Physics · Vol. 9, Issue 1, 2020 · pp. 1–10 Read article →