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Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon
- Source :
- Phys. Chem. Chem. Phys.. 13:933-936
- Publication Year :
- 2011
- Publisher :
- Royal Society of Chemistry (RSC), 2011.
-
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.
Details
- ISSN :
- 14639084 and 14639076
- Volume :
- 13
- Database :
- OpenAIRE
- Journal :
- Phys. Chem. Chem. Phys.
- Accession number :
- edsair.doi.dedup.....bfcd5bd1b43c5665d2cff61a8cb310ea
- Full Text :
- https://doi.org/10.1039/c0cp01604g