Vibrational predissociation dynamics of the nitric oxide dimer

Abstract

We have studied the photofragmentation of NO dimer employing quasi-classical trajectories propagation using quantum probabilities distributions and Wigner distribution functions to determine the initial conditions of the system. The distributions of initial conditions in phase space, between Wigner distribution functions and quantum probabilities distributions, are not so different. The photofragmentation of NO dimer depends strongly on the excitation of the initial state, especially for the lowest of them. These results are in concordance with experimental values where we can see a similar tendency for the lifetimes different vibrational modes that have been studied. In this work we explore more intramolecular and intermolecular vibrational modes. We have increased the number of trajectories and the dissociation distance in the simulation as well.