Issue 3, 2011

Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon

Abstract

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.

Graphical abstract: Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon

Article information

Article type
Communication
Submitted
25 Aug 2010
Accepted
03 Nov 2010
First published
25 Nov 2010

Phys. Chem. Chem. Phys., 2011,13, 933-936

Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon

C. Pisani, M. Itou, Y. Sakurai, R. Yamaki, M. Ito, A. Erba and L. Maschio, Phys. Chem. Chem. Phys., 2011, 13, 933 DOI: 10.1039/C0CP01604G

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