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
β¦ LIBER β¦
The exchange-correlation potential in ab initio density functional theory
β Scribed by Bartlett, Rodney J.; Grabowski, Ireneusz; Hirata, So; Ivanov, Stanislav
- Book ID
- 121201186
- Publisher
- American Institute of Physics
- Year
- 2005
- Tongue
- English
- Weight
- 502 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0021-9606
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