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Manuscript Title: Program ZHUKE, a vibrationally-adiabatic impulsive dissociation model.
Authors: K.F. Lim
Program title: ZHUKE
Catalogue identifier: ADDP_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 97(1996)345
Programming language: Fortran.
Computer: DEC ALPHA 300.
Keywords: Molecular physics, Scattering, Photon, Photodissociation, Photochemical systems, Adiabatic-vibrationally Impulsive dissociation Model, Undetermined lagrangian Multipliers, Holonomic constraints.
Classification: 16.6.

Nature of problem:
The final fragment energy distribution in fast photodissociation reactions is often close to an impulsive limit since there is little time for intramolecular vibrational relaxation to occur.

Solution method:
The computer program ZHUKE implements a new vibrationally-adiabatic impulsive dissociation model [1] in which holonomic constraints are used to decouple vibrations from the dissociation reaction coordinate. Final photofragment vibrational, translational and rotational energies and the associated angular momentum quantum numbers are calculated.

References:
[1] K.F. Lim, in: IQEC '96 Technical Digest (Optical Society of America, 1996), paper WL117.