Uniform electron gases. II. The generalized local density approximation in one dimension.
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius rs and a two-electron hole curvature parameter η at each point in space. The gLDA reduces to the LDA when applied to the infinite homogeneous electron gas but, unlike the LDA, it is also exact for finite uniform electron gases on spheres. We present an explicit gLDA functional for the correlation energy of electrons that are confined to a one-dimensional space and compare its accuracy with LDA, second- and third-order Møller-Plesset perturbation energies, and exact calculations for a variety of inhomogeneous systems.
Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia.
Pierre-François
PF
Loos
Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia.
Caleb J
CJ
Ball
Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia.
Peter M W
PM
Gill