Publication Date:
2012
abstract:
Using a localization technique for the correlation energy density and a linear response constraint, we construct a localized semilocal model for dynamical correlation. The model is incorporated into a meta-generalized gradient approximation functional which is very accurate for jellium surfaces, Hooke's atom at all regimes, and works well both in conjunction with a semilocal exchange and together with local and nonlocal exact exchange.
Iris type:
01.01 Articolo in rivista
Keywords:
GGA functional; meta-GGA functional; correlation functional; dft; density functional theory
List of contributors:
Fabiano, Eduardo; DELLA SALA, Fabio
Published in: