“…The MP2-type term, even if it is normally low-weighted (w PT2 ≤ 0.5), can partly describe these interactions [78] and situates thus double-hybrid functionals in a better position with respect to standard (pure or hybrid) functionals for the treatment of these effects. For instance, application (def2-QZVP basis set) of the hierarchy formed by PBE, PBE0 and PBE0-DH methods to the NCB31 data set of non-covalent interactions [79], comprising a large set (hydrogen bonding dimers, charge transfer, dipole-dipole interactions, or π-π complexes) of weak interactions, provides a global deviation of 1.1, 0.7, and 0.5 kcal/mol, respectively. Furthermore, we also note that the XGY3 model behaves excellently for the calculation of potential energy curves along the dissociation coordinates of weakly bound pairs of molecules like pyridine or benzene dimers [80].…”