Dissociation path for ${\mathrm{H}}_2$ on Al(110)

The minimum energy path is calculated for an ${\mathrm{H}}_2$ molecule dissociating on an Al(110) surface within local density functional theory. The properties of the potential energy surface along the five ${\mathrm{H}}_2$ ionic coordinates perpendicular to the reaction path are also determined and shown to be essential for an understanding of the dissociation dynamics.