The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4865946
Reference107 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
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4. Density-functional exchange-energy approximation with correct asymptotic behavior
5. Tests of the RPBE, revPBE, τ-HCTHhyb, ωB97X-D, and MOHLYP density functional approximations and 29 others against representative databases for diverse bond energies and barrier heights in catalysis
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