Ms. Topaler et Dg. Truhlar, STATISTICAL-MODEL FOR NONADIABATIC DECAY OF AN EXCIPLEX STRONGLY COUPLED TO A DISSOCIATIVE CONTINUUM, The Journal of chemical physics, 107(2), 1997, pp. 392-401
We present a statistical model for the decay of an exciplex that is st
rongly coupled to repulsive ground-state potential energy surface. The
motion of the exciplex is assumed to be governed by the excited elect
ronic state adiabatic potential surface, and transitions to the ground
state are caused by nonadiabatic transitions at a seam of avoided cro
ssing of two strongly coupled diabatic states underlying the adiabatic
representation. The model assumes that motion in the exciplex is ergo
dic. The predictions of the model are tested against accurate quantum
dynamics and trajectory surface hopping calculations for Na+H-2-->NaH
2-->Na+H-2. (C) 1997 American Institute of Physics.