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Excited-state density functional calculations on the helium isoelectronic sequence

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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.

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Authors and Affiliations

  1. Theoretical Chemistry Group, Department of Chemistry, Panjab University, 160 014, Chandigarh, India

    Ranbir Singh & B. M. Deb

  2. Jawaharlal Nehru Centre for Advanced Scientific Research, Indian Institute of Science Campus, 560 012, Bangalore, India

    B. M. Deb

Authors
  1. Ranbir Singh
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  2. B. M. Deb
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Singh, R., Deb, B.M. Excited-state density functional calculations on the helium isoelectronic sequence. Proc. Indian Acad. Sci. (Chem. Sci.) 106, 1321–1328 (1994). https://doi.org/10.1007/BF02840689

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