Semiclassical vibrational eigenvalues of a three-dimensional Hamiltonian

Ronald J. Duchovic, Kandadai N. Swamy, William L. Hase

Research output: Contribution to journalArticlepeer-review

17 Scopus citations


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 languageEnglish
Pages (from-to)1462-1468
Number of pages7
JournalThe Journal of Chemical Physics
Issue number4
StatePublished - 1983


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