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2 articles for “transition dipole moment”

• 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 →

• Published Ahead of print Open access Article 8 Jan 2023

  Phase Behaviour Study of a Mesogen in a Solvent Role of Molecular Rigidity and Configurational Entropy

  By P. Lakshmi Praveen

  Abstract: The phase behaviour of a nematogen 4’-n-pentyloxy-4-biphenylcarbonitrile (POBPCB) has been studied with respect to the translational and orientational motions. The charges of atoms and their dipole moments have been estimated by implementing the complete neglect differential overlap (CNDO/2) method. The long-range interactions have been analyzed using modified Rayleigh- Schrodinger Perturbation theory together with the multicentred-multipole expansion scheme. The “6- exp” potential function has been considered to study the short-range interactions. …

  Published in Research & Reviews : Journal of Physics Read article →