Calculation of exchange-correlation potentials with auxiliary function densities
✍ Scribed by Köster, Andreas M.; Reveles, J. Ulises; del Campo, Jorge M.
- Book ID
- 120988582
- Publisher
- American Institute of Physics
- Year
- 2004
- Tongue
- English
- Weight
- 577 KB
- Volume
- 121
- Category
- Article
- ISSN
- 0021-9606
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📜 SIMILAR VOLUMES
We have performed self-consistent calculations for first and second row atoms using a variant of density-functional theory, the optimized effective potential method, with an approximation due to Krieger, Li and Iafrate and a correlation-energy functional developed by Colle and Salvetti. The mean abs
The exchange-correlation potential associated with excited-state density functional theory is studied numerically using accurate electron densities for ground and excited states of He, Be, Ne, Mg, and Ar. The long-range and short-range behaviors of this potential are discussed. First-excitation ener