Semiclassical Calculation of State-Selective Electronic Predissociation RateConstants

摘要

State-selected rate constant for predissociation in collinear N20 (1 sum +) righttransition arrow N2 (1 sum + sub g) + O(3P) have been calculated by a classical trajectory surface-hopping method. Specific states (tori), corresponding to semiclassical states given by EBK theory. were found by using adiabatic switching. Potential-energy surfaces that cross were assumed since the nonadiabatic interaction is small. Most trajectories on the initial potential-energy surface are quasiperiodic. The rate constants computed for the various tori show fluctuations.