Perturbation Theory on Top of Optimized Effective Potential Method
| dc.creator | Sule, P. | |
| dc.date | 1999-07-20 | |
| dc.date.accessioned | 2026-07-07T05:57:09Z | |
| dc.date.available | 2026-07-07T05:57:09Z | |
| dc.description | We present a perturbative approach within the scope of Kohn-Sham density functional theory (DFT). The method is based on the exact exchange-only optimized effective potential method, and correlation is included via perturbation expansion using Rayleigh-Schrodinger (RS) perturbation theory (PT). The correlation potential is constructed from Moller-Plesset formulation of RS calculations. This naturally leads to a new iterative scheme when finite order perturbation theory is employed. The new iterative procedure can be taken as a self-consistent parameter-free DFT PT, and, as such, provides correlation energy which is explicitly functional of the self-consistent orbitals, eigenvalues and also of the exchange-correlation potential. | |
| dc.description | 11 pages, no figures, RevTeX | |
| dc.identifier | https://arxiv.org/abs/physics/9907031 | |
| dc.identifier | http://arxiv.org/abs/physics/9907031 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/87879 | |
| dc.subject | Chemical Physics | |
| dc.title | Perturbation Theory on Top of Optimized Effective Potential Method | |
| dc.type | text |