Colle-Salvetti-type local density functional for the exchange-correlation energy in two dimensions

TL;DR

This paper introduces a new local density functional for exchange-correlation energy in two-dimensional systems, derived using the Colle-Salvetti wave function, and demonstrates its accuracy on quantum dots and electron gases.

Contribution

It presents a novel Colle-Salvetti-type local density functional specifically designed for 2D systems, satisfying the exchange-correlation hole sum rule.

Findings

Excellent agreement with exact data for quantum dots

Accurate results for two-dimensional homogeneous electron gas

Functional satisfies the exchange-correlation hole sum rule

Abstract

We derive an approximate local density functional for the exchange-correlation energy to be used in density-functional calculations of two-dimensional systems. In the derivation we employ the Colle-Salvetti wave function within the scheme of Salvetti and Montagnani [Phys. Rev. A 63, 052109 (2001)] to satisfy the sum rule for the exchange-correlation hole. We apply the functional for the two-dimensional homogeneous electron gas as well as to a set of quantum dots and find a very good agreement with exact reference data.