Journal of Physics F Metal Physics · 1987 · 32 citations · 21 references
Natural SciencesPhysicsCondensed Matter PhysicsMetallic MaterialsNuclear PhysicsDensity Functional TheoryElectronic Band StructureGamma-ray SpectroscopyX-ray SpectroscopyBand Structure CalculationCompton DetectorsCompton ScatteringCorrelationElectron Correlation EffectsElectron DensityLocal Density ApproximationSystematic Errors
The Compton profiles of single crystals of nickel have been measured by two independent research groups using 412 keV gamma -ray Compton spectrometers. The two sets of data have been obtained to high statistical and systematic accuracy ( sigma approximately=0.2%J(0)) and are in good mutual agreement. The measured anisotropy is found to be significantly reduced with respect to that predicted by an LCGO band-structure calculation performed within the local density approximation for electron correlation. Absolute directional profiles strongly suggest the cause of this discrepancy to be the breakdown of the independent-particle approximation in the calculation of momentum density in the first-series transition metals. Correlation effects in nickel are shown to be twice as large as those in the case of copper reported previously.
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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