Nonadiabatic Photodissociation Dynamics

摘要

The photodissociation dynamics of the triatomic (or pseudo-triatomic) system in the nonadiabatic multiple electronic states is investigated by employing a time-dependent quantum wave packet 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_3I in three electronic states ~1Q_1(A'),~1Q_1(A"),and ~3Q_(0+) is studied and CH_3I is treated as a pseudotriatomic model.The absorption spectra and product vibrational state distributions are calculated and compared with previous theoretical work.