Quantifying the effects of the self-interaction error in density functional theory: When do the delocalized states appear? II. Iron-oxo complexes and closed-shell substrate molecules

Title
Quantifying the effects of the self-interaction error in density functional theory: When do the delocalized states appear? II. Iron-oxo complexes and closed-shell substrate molecules
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 129, Issue 15, Pages 154301
Publisher
AIP Publishing
Online
2008-10-17
DOI
10.1063/1.2991180

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