Computational Condensed Matter · 2023 · 11 citations · 35 references
Natural SciencesMaterials EngineeringMaterials ScienceCrystal StructureInorganic ChemistryMagnetic MaterialsCurie TemperatureDefectsFerromagnetismMagnetic Properties Of SolidsMagnetic SusceptibilityMagnetism In SolidsCrystal Defects In OxidesDefect ChemistryFirst-principles MagnetismFirst-principles ModelingMagnetic Properties
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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
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
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