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Semilocal dynamical correlation with increased localization

Articolo
Data di Pubblicazione:
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.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
GGA functional; meta-GGA functional; correlation functional; dft; density functional theory
Elenco autori:
Fabiano, Eduardo; DELLA SALA, Fabio
Autori di Ateneo:
DELLA SALA FABIO
FABIANO EDUARDO
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/224133
Pubblicato in:
PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS (ONLINE)
Journal
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Dati Generali

URL

http://link.aps.org/doi/10.1103/PhysRevB.86.035130
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