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Issue 3, 2011
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Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon

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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

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Publication details

The article was received on 25 Aug 2010, accepted on 03 Nov 2010 and first published on 25 Nov 2010


Article type: Communication
DOI: 10.1039/C0CP01604G
Citation: Phys. Chem. Chem. Phys., 2011,13, 933-936
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    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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