F. X. Gadea, J. Durup, "Preliminary Study on Kinetic Energy Distributions of Fragments Resulting From Visible Photodissociation", Laser Chemistry, vol. 11, Article ID 184831, 4 pages, 1991. https://doi.org/10.1155/LC.11.95
Preliminary Study on Kinetic Energy Distributions of Fragments Resulting From Visible Photodissociation
According to a strategy which involves DIM excitonic Hamiltonian, DIM-like transition dipole moments, realistic dynamical propagations with the HWD method (Hemiquantal dynamics with the Whole DIM basis), and the Wigner function to weight the initial conditions, a non-empirical theoretical study of the kinetic energy distribution of the photofragments is performed for three total energies. The results illustrate the dominant symmetric stretching motion and the importance of non-adiabatic effects in the dissociation dynamics.
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