Generalized gradient approximations to density functional theory: comparison with exact results

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dc.creatorFilippi, Claudia
dc.creatorGonze, Xavier
dc.creatorUmrigar, C. J.
dc.date1996-07-07
dc.date.accessioned2026-07-07T03:08:42Z
dc.date.available2026-07-07T03:08:42Z
dc.descriptionIn order to assess the accuracy of commonly used approximate exchange-correlation density functionals, we present a comparison of accurate exchange and correlation potentials, exchange energy densities and energy components with the corresponding approximate quantities. Four systems are used as illustrative examples: the model system of two electrons in a harmonic potential and the He, Be and Ne atoms. A new ingredient in the paper is the separation of the exchange-correlation potential into exchange and correlation according to the density functional theory definition.
dc.identifierhttps://arxiv.org/abs/cond-mat/9607046
dc.identifierhttp://arxiv.org/abs/cond-mat/9607046
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/27596
dc.subjectCondensed Matter
dc.titleGeneralized gradient approximations to density functional theory: comparison with exact results
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