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20052008
most citedBenchmark density functional theory calculations for nano-scale conductance

120 citations · 136 across the 3 of their papers we have counts for

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cond-mat.mes-hall2005

Electron transport in a Pt-CO-Pt nanocontact: First-principles calculations

M. Strange, K. S. Thygesen, K. W. Jacobsen

We have performed first-principles calculations for the mechanic and electric properties of pure Pt nano-contacts and a Pt contact with a single CO molecule adsorbed. For the pure…