• CNDO/2 and INDO all-valence-electron calculations on the dipole moment of iodine compounds

    • Fulltext

       

        Click here to view fulltext PDF


      Permanent link:
      https://www.ias.ac.in/article/fulltext/pram/024/05/0737-0741

    • Keywords

       

      CNDO/2 and INDO methods; iodine compounds; all-valence-electron calculation; dipole moment formula

    • Abstract

       

      An application of the semi-empirical CNDO/2 and INDO methods to calculate the molecular dipole moment of iodine compounds has been made with all-valence electron scheme. Equilibrium geometries are obtained using experimental bond lengths and the various semi-empirical parameters required inscf-mo scheme are obtained from atomic Hartree-Fock calculations and by comparison withab initio calculations. Bothsp andspd valence basis sets are used.

    • Author Affiliations

       

      V Santhanam1 J Sobhanadri1

      1. Department of Physics, Indian Institute of Technology, Madras - 600036, India
    • Dates

       
  • Pramana – Journal of Physics | News

    • Editorial Note on Continuous Article Publication

      Posted on July 25, 2019

      Click here for Editorial Note on CAP Mode

© 2017-2019 Indian Academy of Sciences, Bengaluru.