Chemical Physics · 2024 · 20 citations · 57 references
Natural SciencesMaterials EngineeringMaterials ScienceMaterials ChemistryPhysical ChemistrySolid-state ChemistryAb Initio MethodsDensity Functional TheoryEnergy StorageEnergy Storage MaterialsLanthanide ChemistryX-ray CrystallographyEnergy Storage ApplicationsFirst-principles ModelingHydrogen Energy StorageLanthanide HydridesMetal Hydrides
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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
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