Solid State Communications · 2018 · 104 citations · 29 references
Natural SciencesMaterials EngineeringMaterials ScienceCrystal StructureEnergy MaterialsMaterials PhysicsAb Initio MethodsBattery MaterialsCrystal EngineeringCurie TemperatureEnergy Storage MaterialsPerovskite MaterialsElectronic Structure AnalysisHydrogen EmbrittlementHydrogen Energy StorageMetal HydridesOrganic-inorganic Hybrid PerovskitesPerovskite Crystal StructurePerovskite GroupPhonon Scattering
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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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Dynamical Theory of Crystal Lattices
Max Born, Kun Huang, M. Lax · American Journal of Physics · 1955 · 10.6K citations