Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals - CNRS - Centre national de la recherche scientifique Accéder directement au contenu
Article Dans Une Revue Journal of Chemical Physics Année : 2007

Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals

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hal-01828320 , version 1 (03-07-2018)

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Frédéric Labat, Philippe Baranek, Christophe Domain, Christian Minot, Carlo Adamo. Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals. Journal of Chemical Physics, 2007, 126 (15), ⟨10.1063/1.2717168⟩. ⟨hal-01828320⟩
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