4.6 Article

Semilocal dynamical correlation with increased localization

Journal

PHYSICAL REVIEW B
Volume 86, Issue 3, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.86.035130

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Funding

  1. ERC [207441]

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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.

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