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    • Use of atomic fues potential within the floating spherical gaussian orbital method: Study of some two-valence-electron diatomics and triatomic ions

      N K Ray S P Mehandru

      Atomic And Molecular Physics Volume 10 Issue 2 February 1978 pp 201-206

    • Fulltext

       

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/pram/010/02/0201-0206

    • Keywords

       

      Atomic Fues potential; FSGO studies; two-valence-electron systems

    • Abstract

       

      Atomic Fues potential type model potential is used within the floating spherical gaussian orbital formalism to study a series of two-valence-electron diatomics and triatomic ions. Calculated equilibrium geometries and force constants are in excellent agreement with available experimental data and results of all-electronab initio studies. Electron populations are given for fourteen diatomic species and comparison has been made with the results of other theoretical studies. The predicted results are generally satisfactory.

    • Author Affiliations

       

      N K Ray1 S P Mehandru1

      1. Department of Chemistry, University of Delhi, Delhi - 110 007

    • Dates

       
      Published
      February 1978
      Manuscript received
      16 June 1977

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