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
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.