Density gradients for the exchange energy of electrons in two dimensions

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dc.creatorPittalis, S.
dc.creatorRasanen, E.
dc.creatorVilhena, J. G.
dc.creatorMarques, M. A. L.
dc.date2008-10-27
dc.date2008-12-13
dc.date.accessioned2026-07-07T12:25:47Z
dc.date.available2026-07-07T12:25:47Z
dc.descriptionWe derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations has a long and successful history, but it has not yet been fully investigated for electrons in two dimensions. We follow the approach originally proposed by Becke for three-dimensional systems [Int. J. Quantum Chem. 23, 1915 (1983), J. Chem. Phys. 85, 7184 (1986)]. The resulting functional depends on two parameters that are adjusted to a test set of parabolically confined quantum dots. Our exchange functional is then tested on a variety of systems with promising results, reducing the error in the exchange energy by a factor of 4 with respect to the simple local density approximation.
dc.identifierhttps://arxiv.org/abs/0810.4869
dc.identifierhttp://arxiv.org/abs/0810.4869
dc.identifierPhys. Rev. A 79, 012503 (2009)
dc.identifierdoi:10.1103/PhysRevA.79.012503
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/214679
dc.subjectStrongly Correlated Electrons
dc.titleDensity gradients for the exchange energy of electrons in two dimensions
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