Materials Today Communications · 2020 · 72 citations · 39 references
Natural SciencesMaterials EngineeringMaterials ScienceElectronic MaterialsMaterials PhysicsOptical MaterialsAb Initio MethodsElectronic Band StructureElectronic Structure Of SolidsOptical Properties Of SemiconductorsOptical Properties Of SolidsPerovskite MaterialsAb Initio CalculationsBand GapBand Gap EngineeringElectronic Band GapElectronic Structure AnalysisOptical Band GapOptical PropertiesStructural Stability
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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
First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text