Chemical Physics Letters · 2002 · 78 citations · 24 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsQuantum MechanicsSolid State PhysicsAb Initio MethodsCrystalline MaterialsCrystallographyDisordered SystemsElectronic Band StructureOrder-disorder ThermodynamicsDisorder ModelingDisordered SemiconductorsStructural Disorder
24
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
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Density-functional theory of atoms and molecules
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