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Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: Comparison with the local-spin-density approximation.

Authors :
Makkonen, Ilja
Ervasti, Mikko M.
Kauppila, Ville J.
Harju, Ari
Source :
Physical Review B: Condensed Matter & Materials Physics. May2012, Vol. 85 Issue 20, p1-1. 1p.
Publication Year :
2012

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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
10980121
Volume :
85
Issue :
20
Database :
Academic Search Index
Journal :
Physical Review B: Condensed Matter & Materials Physics
Publication Type :
Academic Journal
Accession number :
111230435
Full Text :
https://doi.org/10.1103/PhysRevB.85.205140