Time-dependent wave packet calculations for the photodissociation of molecular chlorine

Abstract

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 1Π u to 1 u(III) electronic state are predicted, the branching ratio of various product channels and anisotropy parameter β(Cl ∗) are determined.