414 citations · 1.6k across the 13 of their papers we have counts for
Showing 2013 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2013★ 55 cited
Electronic shell structure and chemisorption on gold nanoparticles
Ask Hjorth Larsen, Jesper Kleis, Kristian Sommer Thygesen +2
We use density functional theory (DFT) to investigate the electronic structure and chemical properties of gold nanoparticles. Different structural families of clusters are compared…
cond-mat.mtrl-sci2013★ 414 cited
Localized atomic basis set in the projector augmented wave method
Ask Hjorth Larsen, Marco Vanin, Jens Jørgen Mortensen +2
We present an implementation of localized atomic orbital basis sets in the projector augmented wave (PAW) formalism within the density functional theory (DFT). The implementation i…