Density Functional Theory Approach to Noncovalent Interactions via Interacting Monomer Densities

Łukasz Rajchel, Piotr S. Żuchowski, Michał Hapka +3

A recently proposed "DFT+dispersion" treatment (Rajchel et al., Phys. Rev. Lett., 2010, 104, 163001) is described in detail and illustrated by more examples. The formalism derives…