387 citations · 508 across the 2 of their papers we have counts for
3 papers
Spin signature of nonlocal-correlation binding in metal organic frameworks
T. Thonhauser, S. Zuluaga, C. A. Arter +3
We develop a proper nonempirical spin-density formalism for the van der Waals density functional (vdW-DF) method. We show that this generalization, termed svdW-DF, is firmly rooted…
van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions
Kristian Berland, Calvin A. Arter, Valentino R. Cooper +5
The theoretical description of sparse matter attracts much interest, in particular for those ground-state properties that can be described by density functional theory (DFT). One p…
High-throughput screening of small-molecule adsorption in MOF
Pieremanuele Canepa, Calvin A. Arter, Eliot M. Conwill +4
Using high-throughput screening coupled with state-of-the-art van der Waals density functional theory, we investigate the adsorption properties of four important molecules, H_2, CO…