𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Screened-exchange stress tensor in density functional theory

✍ 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.


πŸ“œ SIMILAR VOLUMES


Exchange and correlation energy in densi
✍ R. K. Nesbet πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 352 KB πŸ‘ 2 views

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

Density-functional theory using an optim
✍ Tobias Grabo; E.K.U. Gross πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 543 KB

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

Exact exchange kernel for time-dependent
✍ Andreas GΓΆrling πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 204 KB πŸ‘ 1 views

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

Exchangeβ€”correlation potential and excit
✍ Pratim K. Chattaraj; Swapan K. Ghosh; Shubin Liu; Robert G. Parr πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 545 KB

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

in density-functional theory
✍ Janak, J. F. πŸ“‚ Article πŸ“… 1978 πŸ› The American Physical Society 🌐 English βš– 213 KB