ZhŭKè: a vibrationally-adiabatic impulsive dissociation model
Description
Abstract 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. The computer program ZhŭKè implements a new vibrationally-adiabatic impulsive dissociation model [K.F. Lim, in: IQEC '96 Technical Digest (Optical Soc. of America, 1996), paper WL117], in which holonomic constraints are used to decouple vibrations from the dissociation reaction coordinate. Final photofrag... Title of program: ZHUKE Catalogue Id: ADDP_v1_0 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. Versions of this program held in the CPC repository in Mendeley Data ADDP_v1_0; ZHUKE; 10.1016/0010-4655(96)00059-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)