Density-functional-theory response-property calculations with accurate exchange-correlation potentials
โ Scribed by van Gisbergen, S. J. A.; Kootstra, F.; Schipper, P. R. T.; Gritsenko, O. V.; Snijders, J. G.; Baerends, E. J.
- Book ID
- 120613099
- Publisher
- The American Physical Society
- Year
- 1998
- Tongue
- English
- Weight
- 220 KB
- Volume
- 57
- Category
- Article
- ISSN
- 1050-2947
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๐ 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