Journal of Physics F Metal Physics · 1971 · 17 citations · 10 references
Natural SciencesChemistryPhysicsComputational ChemistryCondensed Matter PhysicsSolid State PhysicsAb Initio MethodsDensity Functional TheoryElectronic Band StructureElectronic SpectroscopyElectronic StructureElectronic Structure Of SolidsBand Structure CalculationBand Structure ComputationBand TheoryElectronic Band TheoryElectronic Structure AnalysisEnergy Band GapPeriodic Electronic StructurePeriodic Electronic Structure Calculations
A number of conflicting energy band calculations for calcium exist in the literature. These calculations along with an incomplete set of de Haas Van Alphen experiments have led to some confusion as to the electronic structure of this metal. In this paper we present a self-consistent energy band calculation for calcium made by the augmented plane wave method.
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