HIGHLY EXCITED VIBRATIONAL-STATES OF ACETYLENE – A VARIATIONAL CALCULATION

Title HIGHLY EXCITED VIBRATIONAL-STATES OF ACETYLENE – A VARIATIONAL CALCULATION
Publication Type Journal Article
Year of Publication 1993
Authors Sibert EL, Mayrhofer RC
Journal Journal of Chemical Physics
Volume 99
Pagination 937-944
Date Published Jul
ISBN Number 0021-9606
Accession Number WOS:A1993LM89400019
Abstract The vibrational states of a planar model of acetylene are obtained using a discrete variable representation. This representation takes advantage of the dynamic separability of high frequency stretching motions and low frequency bending motions. We obtain bend states up to 8770 cm-1 above the zero point energy converged to within +/- 2 cm-1.
Short Title J. Chem. Phys.
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