El. Sibert et Rc. Mayrhofer, HIGHLY EXCITED VIBRATIONAL-STATES OF ACETYLENE - A VARIATIONAL CALCULATION, The Journal of chemical physics, 99(2), 1993, pp. 937-944
The vibrational states of a planar model of acetylene are obtained usi
ng a discrete variable representation. This representation takes advan
tage 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.