Chemical Physics Letters, Vol.428, No.1-3, 49-54, 2006
Time-dependent wave packet calculations for the photodissociation of molecular chlorine
The dissociation processes Of Cl-2 molecule have been studied at numerous photolysis wavelengths (310-470 nm) using time-dependent wave packet method. The initial wave packets are propagated on the excited state potentials utilizing the splitting operator technique. The optical cross-sections are calculated numerically by extracting the dynamics information at a large internuclear separation. Applying the Rozen-Zener-Demkov model, the radial non-adiabatic transition probabilities from C-1 Pi(u) to 1(u)(III) electronic state are predicted, the branching ratio of various product channels and anisotropy parameter beta(Cl*) are determined. (c) 2006 Elsevier B.V. All rights reserved.