paper

Electronic structure without exchange?

arXiv:cond-mat/9907103

Abstract

The correlation holes for densities of equal and opposite spin around a test electron are determined from the Schrödinger equation with proper boundary conditions. The traditional "exchange" term follows from the boundary condition which respects a spacial exclusion principle for equal spins. The resulting potential compares reasonably well with standard local density potentials and should simplify extensions towards non-local effects.

5 pages, 1 figure

Electronic structure without exchange? · wovepaper