OPTIMIZED-EFFECTIVE-POTENTIAL METHOD WITH EXACT EXCHANGE AND EXACT RPA CORRELATION-3D METALS

Authors
Citation
T. Kotani et H. Akai, OPTIMIZED-EFFECTIVE-POTENTIAL METHOD WITH EXACT EXCHANGE AND EXACT RPA CORRELATION-3D METALS, Journal of magnetism and magnetic materials, 177, 1998, pp. 569-570
Citations number
8
Categorie Soggetti
Material Science","Physics, Condensed Matter
ISSN journal
03048853
Volume
177
Year of publication
1998
Part
1
Pages
569 - 570
Database
ISI
SICI code
0304-8853(1998)177:<569:OMWEEA>2.0.ZU;2-U
Abstract
We present a new density-functional method of the self-consistent elec tronic-structure calculation. We use the exchange-correlation energy w hich consists of the exact exchange and the correlation energies in th e random-phase approximation. For 3d metals, it is shown that the corr elation potential gives rise to a large contribution which has the opp osite sign to the exchange potential. Resulting eigenvalue dispersions and the magnetic moments are very close to those of LDA's and the exp eriments. (C) 1998 Elsevier Science B.V. All rights reserved.