Evidence of instantaneous electron correlation from Compton profiles of crystalline silicon.
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.
Dipartimento di Chimica IFM and Centre of Excellence Nanostructured Interfaces and Surfaces, Università di Torino, via P. Giuria 5, I-10125 Torino, Italy. cesare.pisani@unito.it
Cesare
C
Pisani
Masayoshi
M
Itou
Yoshiharu
Y
Sakurai
Ryutaro
R
Yamaki
Masahisa
M
Ito
Alessandro
A
Erba
Lorenzo
L
Maschio