Abstract
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 CH3I in three electronic states 1Q1(A′), 1Q1(A″), and 3Q0+ 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. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
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