Calculation of electronic properties of some solids using the non-local density approximation

Abstract

The fully self-consistent implementation of the non-local density functional as suggested by Langreth and Mehl (see Phys. Rev. B, vol.28, p.1809, 1983) has been used in conjunction with the atom-in-jellium model to calculate some electronic properties of metallic Li Be, Mg and Al and solid Si. It is found that the non-local density approximation of Langreth and Mehl, when compared with the local density approximation, shows an improvement in the orbital eigenvalues and total energies.