Nonadiabatic photodissociation dynamics

The photodissociation dynamics of the triatomic (or pseudo-triatomic) system in the nonadiabatic multiple electronic states is investigated by employing a time-dependent quantum wavepacket method, while the time propagation of the wave packet is carried out using the split-operator scheme. As a numerical example, the photodissociation dynamics of CH,l in three electronic states (1)Q(1)(A'), (1)Q(1)(A"), and (3)Q(0+) is studied and CH3I is treated as a pseudotriatomic model. The absorption spectra and product vibrational state distributions are calculated and compared with previous theoretical work. (C) 2004 Wiley Periodicals, Inc.