Combining the Hybrid Functional Method with Dynamical Mean-Field Theory

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dc.creatorJacob, D.
dc.creatorHaule, K.
dc.creatorKotliar, G.
dc.date2008-05-09
dc.date2008-12-15
dc.date.accessioned2026-07-07T12:12:17Z
dc.date.available2026-07-07T12:12:17Z
dc.descriptionWe present a new method to compute the electronic structure of correlated materials combining the hybrid functional method with the dynamical mean-field theory. As a test example of the method we study cerium sesquioxide, a strongly correlated Mott-band insulator. The hybrid functional part improves the magnitude of the pd-band gap which is underestimated in the standard approximations to density functional theory while the dynamical mean-field theory part splits the 4f-electron spectra into a lower and an upper Hubbard band.
dc.description5 pages, 2 figures, replaced with revised version, published in Europhys. Lett
dc.identifierhttps://arxiv.org/abs/0805.1383
dc.identifierhttp://arxiv.org/abs/0805.1383
dc.identifierEPL 84, 57009 (2008)
dc.identifierdoi:10.1209/0295-5075/84/57009
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/210494
dc.subjectMaterials Science
dc.subjectStrongly Correlated Electrons
dc.titleCombining the Hybrid Functional Method with Dynamical Mean-Field Theory
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