Physical Review · 1967 · 17 citations · 10 references
Natural SciencesMaterials SciencePhysicsElectronic MaterialsMaterials PhysicsSolid State PhysicsAb Initio MethodsElectronic Band StructureElectronic Structure Of SolidsFourier AnalysisOptical Properties Of SolidsCharge Carrier DensityCharge Density AnalysisDiamond SemiconductorsPlane-wave Approximation
Fourier transforms of the charge density of diamond are calculated using the orthogonalized-plane-wave OPW method. The full OPW wave function is used in calculating the charge density in contrast to previous calculations using only plane waves. The results are in excellent agreement with experiment.
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
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