A spin-polarized scheme for obtaining quasi-particle energies within the density functional theory
| dc.creator | Barbiellini, B. | |
| dc.creator | Bansil, A. | |
| dc.date | 2005-05-18 | |
| dc.date.accessioned | 2026-07-07T08:35:34Z | |
| dc.date.available | 2026-07-07T08:35:34Z | |
| dc.description | We discuss an efficient scheme for obtaining spin-polarized quasi-particle excitation energies within the general framework of the density functional theory (DFT). Our approach is to correct the DFT eigenvalues via the electrostatic energy of a majority or minority spin electron resulting from its interaction with the associated exchange and correlation holes by using appropriate spin-resolved pair correlation functions. A version of the method for treating systems with localized orbitals, including the case of partially filled metallic bands, is considered. Illustrative results on Cu are presented. | |
| dc.description | 6 pages, 3 figures, to appear in J. Phys. Chem. Solids | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0505433 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0505433 | |
| dc.identifier | J. Phys. Chem. Solids 66, 2192 (2005) | |
| dc.identifier | doi:10.1016/j.jpcs.2005.09.014 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/139787 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.subject | Materials Science | |
| dc.title | A spin-polarized scheme for obtaining quasi-particle energies within the density functional theory | |
| dc.type | text |