Physica B Condensed Matter · 2018 · 14 citations · 44 references
Natural SciencesMaterials SciencePhysicsElectronic MaterialsMaterials ChemistryMaterials PhysicsAb Initio MethodsAluminum OxidesCrystal ChemistryElectronic StructureElectronic Structure Of SolidsStructure-property RelationshipsAb Initio Phase StabilityAlumina StabilityAnisotropy Of Elastic PropertiesCrystal Structure StabilityCrystal Structure-property RelationshipsFirst-principles Modeling
44
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
Special quasirandom structures
Alex Zunger, Su‐Huai Wei, L. G. Ferreira et al. · Physical Review Letters · 1990 · 3.8K citations