Interaction energies of H$_2$ and CO on transition-metal surfaces computed by a range-separated hybrid van der Waals density functional

Dissociative chemisorption (DC) of H$_2$ on the Cu(111) surface is a prototypical problem for understanding elements of heterogeneous catalysis [Science 326, 832 (2009)].

Dissociative chemisorption (DC) of H$_2$ on the Cu(111) surface is a prototypical problem for understanding elements of heterogeneous catalysis [Science 326, 832 (2009)]. The challenge lies in modeling the reaction dynamics that in turn reflects a classical potential for atomic…