Résumé
We set up a functional setting for mean-field electronic structure models of Hartree-Fock or Kohn-Sham types for disordered quantum systems. We then use these tools to study a specific mean-field model (reduced Hartree-Fock, rHF) for a disordered crystal where the nuclei are classical particles whose positions and charges are random. We prove the existence of a minimizer of the energy per unit volume and the uniqueness of the ground state density. For (short-range) Yukawa interactions, we prove in addition that the rHF ground state density matrix satis_es a self-consistent equation, and that our model is the thermodynamic limit of the supercell model.
| langue originale | Anglais |
|---|---|
| titre | XVIIth International Congress on Mathematical Physics |
| Sous-titre | Aalborg, Denmark, 6-11 August 2012 |
| Editeur | World Scientific Publishing Co. |
| Pages | 549-557 |
| Nombre de pages | 9 |
| ISBN (Electronique) | 9789814449243 |
| ISBN (imprimé) | 9789814449236 |
| Les DOIs | |
| état | Publié - 1 janv. 2013 |
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