Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: comparison with the local-spin-density approximation
Mesoscale and Nanoscale Physics
2012-05-30 v3
Abstract
We consider electronic exchange and correlation effects in density-functional calculations of two-dimensional systems. Starting from wave function calculations of total energies and electron densities of inhomogeneous model systems, we derive corresponding exchange-correlation potentials and energies. We compare these with predictions of the local-spin-density approximation and discuss its accuracy. Our data will be useful as reference data in testing, comparing and parametrizing exchange and correlation functionals for two-dimensional electronic systems.
Cite
@article{arxiv.1201.3913,
title = {Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: comparison with the local-spin-density approximation},
author = {Ilja Makkonen and Mikko M. Ervasti and Ville Kauppila and Ari Harju},
journal= {arXiv preprint arXiv:1201.3913},
year = {2012}
}
Comments
Submitted to Physical Review B on January 3, 2012. Second revised version submitted on April 13, 2012