Semiclassical Vibrational Eigenvalues of a Three-Dimensional Hamiltonian
Journal of Chemical Physics
A fully coupled realistic mode three-dimensional Hamiltonian representing the H–C–C↠H+C=C dissociation is investigated semiclassically. This system has been found to exhibit quasiperiodic behavior above dissociation. Semiclassical vibrational eigenvalues and frequencies have been computed using the Sorbie–Handy method of semiclassical quantization.The semiclassical spectrum has also been computed from the autocorrelation function of the dynamical variable via a Fourier transform.
Ronald J. Duchovic, K N. Swamy, and W L. Hase (1984).
Semiclassical Vibrational Eigenvalues of a Three-Dimensional Hamiltonian. Journal of Chemical Physics.80 (4), 1462.