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

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    • 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

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      Posted on July 25, 2019

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