275 citations · 503 across the 14 of their papers we have counts for
Showing 2014Show all
2 papers · 1 filter
physics.comp-ph2014★ 105 cited
Orbital-Free Density Functional Theory Implementation with the Projector Augmented-Wave Method
J. Lehtomäki, I. Makkonen, M. A. Caro +2
We present a computational scheme for orbital-free density functional theory (OFDFT) that simultaneously provides access to all-electron values and preserves the OFDFT linear scali…
cond-mat.mtrl-sci2014★ 31 cited
On the interaction between gold and silver metal atoms and DNA/RNA nucleobases -- a comprehensive computational study of ground state properties
Leonardo Andres Espinosa Leal, Olga Lopez-Acevedo
The interaction between metal atoms and nucleobases has been a topic of high interest due to the wide scientific and technological implications. Combining density functional theory…