EXCITED-STATE DENSITY-FUNCTIONAL CALCULATIONS ON THE HELIUM ISOELECTRONIC SEQUENCE

Authors
SINGH R DEB BM
Citation
R. Singh et Bm. Deb, EXCITED-STATE DENSITY-FUNCTIONAL CALCULATIONS ON THE HELIUM ISOELECTRONIC SEQUENCE, Proceedings of the Indian Academy of Sciences. Chemical sciences, 106(6), 1994, pp. 1321-1328
Citations number
20
Journal title
Proceedings of the Indian Academy of Sciences. Chemical sciences → ACNP
ISSN journal
02534134
Volume
106
Issue
6
Year of publication
1994
Pages
1321 - 1328
Database
ISI
SICI code
0253-4134(1994)106:6<1321:EDCOTH>2.0.ZU;2-U
Abstract
Self-consistent density-functional calculations, in an exchange-only f ramework, are reported for the energies and moments of the 2 S-3 excit ed states of the helium isoelectronic sequence, according to the presc ription of Harbola and Sahni. The total energy values show excellent a greement with ''exact'' nonrelativistic values while the moments are a lso quite satisfactory.