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Natural SciencesChemistryPhysicsComputational ChemistryInorganic ChemistrySolid-state ChemistryAb Initio MethodsCoordination ChemistryCrystal ChemistryElectronic StructureElectronic Structure Of SolidsMolecular Orbital TheoryAb Initio CalculationsAb Initio SimulationsBinary CompoundsElectronic Structure AnalysisElectronic Structure DeterminationElectronic Structure Of Metal ComplexesValence Electronic Structure
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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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W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text