Screened-exchange stress tensor in density functional theory
β Scribed by Gibson, Michael C.; Brand, Stuart; Clark, Stewart J.
- Book ID
- 118058233
- Publisher
- The American Physical Society
- Year
- 2006
- Tongue
- English
- Weight
- 76 KB
- Volume
- 73
- Category
- Article
- ISSN
- 1098-0121
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
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
An exact expression for the exchange kernel of time-dependent densityfunctional theory, the frequency-dependent functional derivative of the exchange potential with respect to the density, is derived. The expression is simple enough to be applied in practice. A simple and transparent derivation of t
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