Nonadiabatic photodissociation dynamics of ICN in the à continuum: A semiclassical initial value representation study

In this paper we investigate the nonadiabatic photodissociation dynamics of ICN in the à continuum, using a semiclassical initial value representation method which is able to describe electronically nonadiabatic processes through the quantization of the classical electron–nuclear model Hamiltonian of Meyer and Miller @J. Chem. Phys. 70, 3214 ~1979!#. We explore the capabilities of this semiclassical technique as applied to studying the ICN absorption spectrum, and the CN rotational distribution, through direct comparison of our semiclassical results with experimental data, and with full quantum mechanical calculations. We find that the Meyer–Miller Hamiltonian, quantized according to the semiclassical prescription, describes the ICN photodissociation dynamics in excellent agreement with full-quantum mechanical calculations. © 2000 American Institute of Physics. @S0021-9606~00!01113-2#