00-458 O. Bokanowski, B. Grebert, N. Mauser

Local density approximations for the energy of a periodic Coulomb model (84K, latex 2e) Nov 17, 00

Abstract , Paper (src), View paper (auto. generated ps), Index of related papers

Abstract. We deal with local density approximations for the kinetic and exchange energy term, $\cE_{kin}(\rho )$ and $\cE_{ex}(\rho )$, of a periodic Coulomb model. We study asymptotic approximations of the energy when the number of particles goes to infinity and for densities close to the constant averaged density. For the kinetic energy, we recover the usual combination of the von-Weizs\"acker term and the Thomas-Fermi term. Furthermore, we justify the inclusion of the Dirac term for the exchange energy and the Slater term for the local exchange potential.

Files: 00-458.src( 00-458.keywords , b.tex )