Journal of Chemical Physics, Vol.104, No.20, 8016-8024, 1996
Time-Dependent Hartree Configuration-Interaction Study of the ICN Photodissociation Dynamics
The application of the time-dependent Hartree configuration interaction (TDH-CI) method is examined for the ICN photodissociation process. Corrections to the approximate TDH dynamics are included up to a quantitative agreement with exact results. The validity of the TDH approximation, for computing some averaged magnitudes, is also tested against exact results.
Keywords:CONSISTENT FIELD APPROXIMATION;POTENTIAL-ENERGY SURFACES;WAVE PACKET;TRIATOMIC PHOTODISSOCIATION;OPTICAL SPECTROSCOPY;DOMAIN FORMULATION;MOLECULAR-DYNAMICS;NM PHOTOLYSIS;249 NM;CN