28 research outputs found
Optimized effective potential method with exact exchange and static RPA correlation
We present a new density-functional method of the self-consistent
electronic-structure calculation which does not exploit any local density
approximations (LDA). We use the exchange-correlation energy which consists of
the exact exchange and the correlation energies in the random-phase
approximation. The functional derivative of the correlation energy with respect
to the density is obtained within a static approximation. For transition
metals, it is shown that the correlation potential gives rise to a large
contribution which has the opposite sign to the exchange potential. Resulting
eigenvalue dispersions and the magnetic moments are very close to those of
LDA's and the experiments.Comment: 12pages. 4 figure