7.7k citations · 9.9k across the 18 of their papers we have counts for
Showing 2012Show all
2 papers · 1 filter
physics.chem-ph2012★ 166 cited
Interatomic Methods for the Dispersion Energy Derived from the Adiabatic Connection Fluctuation-Dissipation Theorem
Alexandre Tkatchenko, Alberto Ambrosetti, Robert A. DiStasio
Interatomic pairwise methods are currently among the most popular and accurate ways to include dispersion energy in density functional theory (DFT) calculations. However, when appl…
cond-mat.mtrl-sci2012
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism
Noa Marom, Robert A. DiStasio, Viktor Atalla +4
Polymorphs in molecular crystals are often very close in energy, yet they may possess markedly different physical and chemical properties. The understanding and prediction of polym…