On Kohn-Sham models with LDA and GGA exchange-correlation functionals
| dc.creator | Anantharaman, Arnaud | |
| dc.creator | Cancès, Eric | |
| dc.date | 2008-09-30 | |
| dc.date.accessioned | 2026-07-07T10:06:23Z | |
| dc.date.available | 2026-07-07T10:06:23Z | |
| dc.description | This article is concerned with the mathematical analysis of the Kohn-Sham and extended Kohn-Sham models, in the local density approximation (LDA) and generalized gradient approximation (GGA) frameworks. After recalling the mathematical derivation of the Kohn-Sham and extended Kohn-Sham LDA and GGA models from the Schrödinger equation, we prove that the extended Kohn-Sham LDA model has a solution for neutral and positively charged systems. We then prove a similar result for the spin-unpolarized Kohn-Sham GGA model for two-electron systems, by means of a concentration-compactness argument. | |
| dc.identifier | https://arxiv.org/abs/0809.5139 | |
| dc.identifier | http://arxiv.org/abs/0809.5139 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/170307 | |
| dc.subject | Quantum Physics | |
| dc.subject | Mathematical Physics | |
| dc.subject | Spectral Theory | |
| dc.title | On Kohn-Sham models with LDA and GGA exchange-correlation functionals | |
| dc.type | text |