HOW MANY CONFIGURATIONS ARE NEEDED IN A TIME-DEPENDENT HARTREE TREATMENT OF THE PHOTODISSOCIATION OF ICN

In this work, we explore the applicability of a multiconfiguration version of the time-dependent Hartree approximation in photodissociation dynamics. A two-dimensional model system based on the A-band photodissociation of ICN is used. The propagation of the wave packet, which is expanded on grids, is carried out using pseudospectral methods and a predictor-corrector integrator. It is found that the quantum state resolved quantities, such as the final CN rotational distribution, require many more configurations than averaged quantities like the absorption spectrum. The calculated results from this work agree well with previous quantum calculations. © 1995 American Institute of Physics.