Time-dependent calculations of molecular photodissociation resonances

Abstract

The molecular photodissociation dynamics of a model, collinear CO2 system is investigated using the time-dependent wave packet method. Resonance structures in the absorption line shape, found previously in time-independent studies, are correlated to particular oscillatory motions in the dissociating wave packet dynamics. Dramatic changes in the absorption line shape are predicted for this system for short pulse excitation due to the removal of the effects of one class of resonances. Three different methods of solving the time-dependent Schrödinger equation were tested and the optimal scheme was used in these calculations.