Study of the kinetic energy density functional in the locally linear potential approximation

Abstract

A kinetic energy density functional based on a locally linearized approximation for the potential has been investigated through calculation using accurate Hartree–Fock densities for several atoms. The integrated and the local values of this kinetic energy density as well as the local behavior of its functional derivative are compared with corresponding quantities for Hartree–Fock and other existing kinetic energy functionals including a newly suggested one. With an N-dependent correction factor, this functional shows better agreement.