Full-dimensional quantum study of the vibrational predissociation of the I2•••Ne2 cluster

The dynamics of the vibrational predissociation of the I2Ne2(B, nu = 21) cluster is studied using a full-dimensional time-dependent wave packet approach. The 6-D propagation is performed with the multiconfiguration time-dependent Hartree (MCTDH) method. The time dependence of the I-2 vibrational state populations is monitored during the dissociation process. The final vibrational populations are compared to experimental findings of Levy et al. (C) 2001 American Institute of Physics.