OPTIMIZED EFFECTIVE POTENTIAL METHOD FOR EXACT EXCHANGE ENERGY APPLIED TO SOLIDS

Authors
KOTANI T AKAI H
Citation
T. Kotani et H. Akai, OPTIMIZED EFFECTIVE POTENTIAL METHOD FOR EXACT EXCHANGE ENERGY APPLIED TO SOLIDS, Physica. B, Condensed matter, 237, 1997, pp. 332-335
Citations number
13
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physica. B, Condensed matter → ACNP
ISSN journal
09214526
Volume
237
Year of publication
1997
Pages
332 - 335
Database
ISI
SICI code
0921-4526(1997)237:<332:OEPMFE>2.0.ZU;2-J
Abstract
A new method of the self-consistent electronic band-structure calculat ion, which uses the exact Kohn-Sham density-functional exchange instea d of the LDA exchange, is presented. The results obtained for various systems including those for antiferromagnetic MnO and ferromagnetic ir on have revealed that the method is feasible for a rather wide range o f materials.