Quantum interference effects in the Br2 electronic predissociation: Dependence upon the molecular properties

The occurrence of quantum interference in the Br₂ electronic predissociation has been observed for the first time. It is also shown that the quantum interference effects are strongly dependent upon the representation of the molecular properties, such as the kinetic coupling and the transition dipole moment. The fast Fourier transform method implemented within the wave packet formalism was used to simulate the time evolution of the molecular system under the influence of single monochromatic ultrashort laser pulses. The quantum interference has been inferred from the oscillatory behavior of the autocorrelation functions, which have also been used to calculate the cross-sections, the branching ratios, and the selectivity. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004