Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization.
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Range separation and local hybridization in density functional theoryImproved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation.Screened hybrid density functionals for solid-state chemistry and physicsWhy are GGAs so accurate for reaction kinetics on surfaces? Systematic comparison of hybrid vs. nonhybrid DFT for representative reactions.Exchange-Correlation Functionals via Local Interpolation along the Adiabatic ConnectionDesign of exchange-correlation functionals through the correlation factor approach.Local-hybrid functional based on the correlation length.Does the ionization potential condition employed in QTP functionals mitigate the self-interaction error?Reducing density-driven error without exact exchange.One-electron self-interaction and the asymptotics of the Kohn-Sham potential: an impaired relation.Long-range corrected hybrid functionals for π-conjugated systems: dependence of the range-separation parameter on conjugation length.Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies.Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit.Many-electron self-interaction and spin polarization errors in local hybrid density functionalsRange-separated local hybridsLocal hybrids as a perturbation to global hybrid functionals
P2860
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P2860
Self-consistent generalized Kohn-Sham local hybrid functionals of screened exchange: Combining local and range-separated hybridization.
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on September 2008
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Self-consistent generalized Ko ...... range-separated hybridization.
@en
Self-consistent generalized Ko ...... range-separated hybridization.
@nl
type
label
Self-consistent generalized Ko ...... range-separated hybridization.
@en
Self-consistent generalized Ko ...... range-separated hybridization.
@nl
prefLabel
Self-consistent generalized Ko ...... range-separated hybridization.
@en
Self-consistent generalized Ko ...... range-separated hybridization.
@nl
P2093
P2860
P356
P1476
Self-consistent generalized Ko ...... range-separated hybridization.
@en
P2093
Aliaksandr V Krukau
Benjamin G Janesko
Gustavo E Scuseria
P2860
P304
P356
10.1063/1.2980056
P407
P577
2008-09-01T00:00:00Z