38 citations · 52 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2010★ 14 cited
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…
physics.chem-ph2009★ 38 cited
A DFT Approach to Non-Covalent Interactions via Monomer Polarization and Pauli Blockade
Łukasz Rajchel, Piotr S. Żuchowski, Małgorzata M. Szcześniak +1
We propose a "DFT+dispersion" treatment which avoids double counting of dispersion terms by deriving the dispersion-free density functional theory (DFT) interaction energy and comb…