Optimized Effective Potential for Extended Hubbard Model
| dc.creator | Solovyev, I. V. | |
| dc.date | 2003-09-19 | |
| dc.date.accessioned | 2026-07-07T06:29:29Z | |
| dc.date.available | 2026-07-07T06:29:29Z | |
| dc.description | Antiferromagnetic and charge ordered Hartree-Fock solutions of the one-band Hubbard model with on-site and nearest-neighbor Coulomb repulsions are exactly mapped onto an auxiliary local Kohn-Sham (KS) problem within a density-functional theory. The mapping provides a new insight into the interpretation of the KS equations. (i) With an appropriate choice of the basic variable, there is a universal form of the KS potential, which is applicable both for the antiferromagnetic and the charge ordered solutions. (ii) The Kohn-Sham and Hartree-Fock eigenvalues are interconnected by a scaling transformation. (iii) The band-gap problem is attributed to the derivative discontinuity of the basic variable as the function of the electron number, rather than a finite discontinuity of the KS potential. (iv) It is argued that the conductivity gap and the energies of spin-wave excitations can be entirely defined by the parameters of the ground state and the KS eigenvalues. | |
| dc.description | 21 page, 3 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0309452 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0309452 | |
| dc.identifier | Phys. Rev. B 60, 8550 (1999) | |
| dc.identifier | doi:10.1103/PhysRevB.60.8550 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/98049 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | Optimized Effective Potential for Extended Hubbard Model | |
| dc.type | text |