Semilocal dynamical correlation with increased localization

Data di pubblicazione: 20 Lug 2012

RivistaFonte dati: ARCHIVIO

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.

Editore
American Physical Society
Fonte
Physical Review B
ID archivio
94cda3a50c8ef0589a0bde9d1ec32bbf
Riferimenti
Volume: 86 Issue: 3 Pages: 035130