2.3k citations · 16.8k across the 81 of their papers we have counts for
Showing 2013 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2013★ 136 cited
On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures
Biswajit Santra, Jiří Klimeš, Alexandre Tkatchenko +5
Density-functional theory (DFT) has been widely used to study water and ice for at least 20 years. However, the reliability of different DFT exchange-correlation (xc) functionals f…
cond-mat.mtrl-sci2013★ 55 cited
Exploring the Bonding of Large Hydrocarbons on Noble Metals: Diindoperylene on Cu(111), Ag(111), and Au(111)
C. Bürker, N. Ferri, A. Tkatchenko +7
We present a benchmark study for the adsorption of a large pi-conjugated organic molecule on different noble metal surfaces, which is based on X-ray standing wave (XSW) measurement…