• Excited-state density functional calculations on the helium isoelectronic sequence

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/106/06/1321-1328

    • Keywords

       

      Self-consistent density-functional calculations; helium isoelectronic sequence; exchange-only framework

    • Abstract

       

      Self-consistent density-functional calculations, in an exchange-only framework, are reported for the energies and moments of the 23S excited states of the helium isoelectronic sequence, according to the prescription of Harbola and Sahni. The total energy values show excellent agreement with “exact” nonrelativistic values while the moments are also quite satisfactory.

    • Author Affiliations

       

      Ranbir Singh1 B M Deb1 2

      1. Theoretical Chemistry Group, Department of Chemistry, Panjab University, Chandigarh - 160 014, India
      2. Jawaharlal Nehru Centre for Advanced Scientific Research, Indian Institute of Science Campus, Bangalore - 560 012, India
    • Dates

       
  • Journal of Chemical Sciences | News

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