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
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.