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Excited-state density functional calculations on the helium isoelectronic sequence

Authors :
Singh, Ranbir
Deb, B. M.
Source :
Journal of Chemical Sciences; November 1994, Vol. 106 Issue: 6 p1321-1328, 8p
Publication Year :
1994

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.

Details

Language :
English
ISSN :
09743626 and 09737103
Volume :
106
Issue :
6
Database :
Supplemental Index
Journal :
Journal of Chemical Sciences
Publication Type :
Periodical
Accession number :
ejs15190443
Full Text :
https://doi.org/10.1007/BF02840689