Abstract
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.
Original language | English |
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Pages (from-to) | 1462-1468 |
Number of pages | 7 |
Journal | The Journal of Chemical Physics |
Volume | 80 |
Issue number | 4 |
DOIs | |
State | Published - 1983 |