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