Exchange-Correlation Potential in the Density Functional Method
β Scribed by L. P. Ginzburg
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2006
- Tongue
- English
- Weight
- 145 KB
- Volume
- 146
- Category
- Article
- ISSN
- 0040-5779
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π SIMILAR VOLUMES
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
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
Several different versions of density functional theory (DFT) that satisfy Hohenberg-Kohn theorems are characterized by different definitions of a reference or model state determined by an N-electron ground state. A common formalism is developed in which exact Kohn-Sham equations are derived for sta