Chemical Physics · 2015 · 27 citations · 50 references
Natural SciencesChemistryMaterials ScienceCondensed Matter PhysicsMaterials ChemistrySolid State PhysicsCluster ChemistryElectronic Band StructureRare-earth-doped MaterialsSemiconductor PhysicsSilicon MaterialsThermal Properties Of SemiconductorsOptical Properties Of ClustersSemiconductor CrystallographyStructural Characterization Of ClustersVacancy Clusters
50
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
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