• The diabatic energy surface for H3

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/096/03-04/0207-0214

    • Keywords

       

      Diabatic potential energy surfaces; H3 energy surface; fitting of potential energy surfaces

    • Abstract

       

      The form of the diabatic energy surface for the H3 system is considered. It does not have the full permutation symmetry of the nuclei. The diabatic crossing and the conical intersection are compared. A fit to the calculated points of Siegbahn and Liu using the exponential map is described and the results discussed.

    • Author Affiliations

       

      Mayumi Okada1 G G Hall1

      1. Division of Molecular Engineering, Kyoto University, Kyoto - 606, Japan
    • Dates

       
  • Journal of Chemical Sciences | News

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