8 citations · 10 across the 3 of their papers we have counts for
3 papers
Development of a Non-Empirical Exchange-Hole Dipole Moment Dispersion Model
Alastair J. A. Price, Alberto Otero-de-la-Roza
The inclusion of dispersion effects is important in density-functional theory (DFT) to model non-covalent interactions correctly, a task that is essential in many applications of t…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Noncovalent Interactions in Density-Functional Theory
Gino A. DiLabio, Alberto Otero-de-la-Roza
Non-covalent interactions are essential in the description of soft matter, including materials of technological importance and biological molecules. In density-functional theory, c…