Exchange-correlation orbital functionals in current-density-functional theory: Application to a quantum dot in magnetic fields

TL;DR

This paper extends current-spin-density functional theory with an optimized effective potential method to accurately model interacting electrons in magnetic fields, demonstrated through a quantum dot case study.

Contribution

It introduces a practical approach combining self-interaction corrected correlation energies with exact exchange in current-density-functional theory for quantum dots.

Findings

Excellent agreement with quantum Monte Carlo results

Self-consistency has minor impact on accuracy

Effective combination of correlation corrections and exact exchange

Abstract

The description of interacting many-electron systems in external magnetic fields is considered in the framework of the optimized effective potential method extended to current-spin-density functional theory. As a case study, a two-dimensional quantum dot in external magnetic fields is investigated. Excellent agreement with quantum Monte Carlo results is obtained when self-interaction corrected correlation energies from the standard local spin-density approximation are added to exact-exchange results. Full self-consistency within the complete current-spin-density-functional framework is found to be of minor importance.