Physical Chemistry Chemical Physics · 2010 · 23 citations · 17 references
Natural SciencesPhysicsCondensed Matter PhysicsCrystal StructureSpectroscopyAb Initio MethodsDensity Functional TheoryElectron CorrelationSilicon MaterialsStrongly Correlated Electron SystemsCompton ScatteringCrystalline SiliconDensity MatrixDensity Matrix FormulationElectron Correlation EffectsInstantaneous CorrelationSiliconSilicon Physics
The combination of new experimental and theoretical techniques provides evidence of instantaneous electron correlation effects in directional Compton profiles of crystalline silicon, which cannot be reproduced when reference is made to a density matrix obtained from a single-determinantal wavefunction. These effects are instead accounted for by a recently implemented post-Hartree-Fock periodic scheme, which gives results in quite good agreement with the high-quality experimental data.
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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
Local-MP2 electron correlation method for nonconducting crystals
C. Pisani, M. Busso, Gabriella Capecchi et al. · The Journal of Chemical Physics · 2005 · 200 citations
Natural Sciences, Chemistry, Physics +17
Claudio M. Zicovich‐Wilson, Roberto Dovesi, Victor R. Saunders · The Journal of Chemical Physics · 2001 · 199 citations