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Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon.

Authors
  • Pisani, Cesare
  • Itou, Masayoshi
  • Sakurai, Yoshiharu
  • Yamaki, Ryutaro
  • Ito, Masahisa
  • Erba, Alessandro
  • Maschio, Lorenzo
Type
Published Article
Journal
Physical Chemistry Chemical Physics
Publisher
The Royal Society of Chemistry
Publication Date
Jan 21, 2011
Volume
13
Issue
3
Pages
933–936
Identifiers
DOI: 10.1039/c0cp01604g
PMID: 21109875
Source
Medline
License
Unknown

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.

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