Title

Semiclassical Vibrational Eigenvalues of a Three-Dimensional Hamiltonian

Document Type

Article

Publication Date

2-1984

Publication Source

Journal of Chemical Physics

Volume

80

Issue

4

Inclusive pages

1462

DOI

10.1063/1.446894

Peer Reviewed

yes

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.

Disciplines

Chemistry

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