Potential energy curves, transition dipole moments, and non-adiabatic coupling terms of the excited states of ICl molecule have been obtained by the spin-orbit configuration interaction method to examine the branching ratios and the anisotropy parameters of the photodissociation process in the second absorption band. The calculation of the branching ratios with the time-dependent coupled Schrödinger equations, including the quantum interference effect between the 0+(III) and 0+(IV) states, shows good agreement with recent experiments, thus resolves the long standing disagreement. The contribution of the quantum interference effect to the photodissociation process is discussed based on a time-dependent perturbation treatment.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry