Second-order perturbation energy corrections for the optimized effective potential for atoms
Journal Article
·
· Physical Review. A
- Department of Applied Mathematics and Centre for Chemical Physics, University of Western Ontario, London, Ontario, N6A 5B7 (Canada)
The second-order perturbation corrections to the energy computed using the optimized effective potential (OEP) arising from single-particle excitations are computed explicitly for a number of closed-shell atoms. It is found that almost all of the difference between the Hartree-Fock energy and the OEP energy is recovered in second order.
- OSTI ID:
- 20718824
- Journal Information:
- Physical Review. A, Journal Name: Physical Review. A Journal Issue: 4 Vol. 72; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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