  We performed high-dimensional quantum dynamical calculations of the
dissociative adsorption and associative desorption of hydrogen on Cu(111). The
potential energy surface (PES) is obtained from density functional theory
calculations. Two regimes of dynamics are found, at low energies sticking is
determined by the minimum energy barrier, at high energies by the distribution
of barrier heights. Experimental results are well-reproduced qualitatively, but
some quantitative discrepancies are identified as well.
