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. |