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20062021
most citedAnalysis of the Heyd-Scuseria-Ernzerhof density functional parameter space

175 citations · 307 across the 6 of their papers we have counts for

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Showing 2006 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2006★ 101 cited

Density functional theory and DFT+U study of transition metal porphines adsorbed on Au(111) surfaces and effects of applied electric fields

Kevin Leung, Susan B. Rempe, Peter A. Schultz +4

We apply Density Functional Theory (DFT) and the DFT+U technique to study the adsorption of transition metal porphine molecules on atomistically flat Au(111) surfaces. DFT calculat…