most citedBenchmarking van der Waals Density Functionals with Experimental Data: Potential Energy Curves for H2 Molecules on Cu(111), (100), and (110) Surfaces

41 citations · 41 across the 1 of their papers we have counts for

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2 papers

cond-mat.mtrl-sci2012★ 41 cited

Benchmarking van der Waals Density Functionals with Experimental Data: Potential Energy Curves for H2 Molecules on Cu(111), (100), and (110) Surfaces

Kyuho Lee, Kristian Berland, Mina Yoon +4

Detailed physisorption data from experiment for the H_2 molecule on low-index Cu surfaces challenge theory. Recently, density-functional theory (DFT) has been developed to account…

cond-mat.mtrl-sci2011

Evaluation of New Density Functional with Account of van der Waals Forces by Use of Experimental H2 Physisorption Data on Cu(111)

Kyuho Lee, André K Kelkkanen, Kristian Berland +5

Detailed experimental data for physisorption potential-energy curves of H2 on low-indexed faces of Cu challenge theory. Recently, density-functional theory has been developed to al…