Computational Materials Science · 2015 · 20 citations · 33 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsElectronic MaterialsSemiconductor MaterialsCarrier TransportElectron TransportElectronic Transport ModelingSemiconductor InterfacesSemiconductor PhysicsWide Band Gap SemiconductorsBand AlignmentCarrier Transport In SemiconductorsCarrier Transport MechanismsElectrical Transport PropertiesElectron Transport In SemiconductorsTransport In SemiconductorsTwin Boundaries
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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
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14