Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem
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Title
Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 20, Pages 204107
Publisher
AIP Publishing
Online
2014-11-27
DOI
10.1063/1.4901924
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- (2013) P. Bleiziffer et al. PHYSICAL REVIEW A
- Progress in Time-Dependent Density-Functional Theory
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- A Parameter-Free Density Functional That Works for Noncovalent Interactions
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- Erratum: Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes [Phys. Rev. B61, 16430 (2000)]
- (2010) Zidan Yan et al. PHYSICAL REVIEW B
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- (2010) Judith Harl et al. PHYSICAL REVIEW B
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