Quantum close-coupled studies of collisions of NO(X 2Π) with a Ag(111) surface

Close-coupled calculations of transition probabilities for rotationally inelastic scattering of NO(X 2Π) by a rigid, uncorrugated Ag(111) surface are presented. These calculations explicitly include the two adiabatic potential energy surfaces of V+ and V− symmetry, which are required in a fully quantum mechanical treatment of the collision dynamics. This enables us to provide the first theoretical description of the dependence of the transition probabilities on the spin–orbit and Λ-doublet states of the scattered molecules, which are a direct manifestation of the open-shell character of the 2Π electronic ground state of NO. A comparison is made with the results of experiments by Luntz, Kleyn, and Auerbach at IBM, and Zare and co-workers at Stanford.