  Semilocal (SL) density functional approximations (DFAs) are widely applied
but have limitations due to their inability to incorporate long-range van der
Waals (vdW) interaction. Non-local functionals (vdW-DF, VV10, rVV10) or
empirical methods (DFT+D, DFT+vdW, DFT+MBD) are used with SL-DFAs to account
for such missing interaction. The physisorption of a molecule on the surface of
the coinage metals (Cu, Ag, and Au) is a typical example of systems where vdW
interaction is significant. However, it is difficult to find a general method
that reasonably describes both adsorption energy and geometry of even the
simple prototypes of cyclic and heterocyclic aromatic molecules like benzene
(C6H6) and thiophene (C4H4S) respectively, with reasonable accuracy. In this
work, we present an alternative scheme based on Zaremba-Kohn's theory, called
DFT+vdW-dZK. We show that, unlike other popular methods, DFT+vdW-dZK and
particularly SCAN+vdW-dZK gives an accurate description of the physisorption of
a rare-gas atom (Xe) and two small albeit diverse prototype organic molecules
on the (111) surfaces of the coinage metals.
