Electronic structure without exchange?

TL;DR

This paper derives an electronic structure approach that omits the traditional exchange term by using boundary conditions based on a spatial exclusion principle, potentially simplifying non-local effect extensions.

Contribution

It introduces a method to determine correlation holes and potentials without explicitly including exchange, challenging conventional exchange-based models.

Findings

Potential compares well with standard local density potentials.

Method simplifies extension to non-local effects.

Provides a new perspective on exchange in electronic structure.

Abstract

The correlation holes for densities of equal and opposite spin around a test electron are determined from the Schr\"{o}dinger 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.