Semiclassical energy levels for linear molecules

Abstract

Semiclassical energy levels and frequencies are obtained for the ground electronic state of OCS using the potential of Foord et al. [10]. Certain rotational corrections were neglected, as explained in the text. The frequencies typically differ from the calculated quantal values by about 0·2 cm^-1 for the lower vibrational levels and about 2 cm^-1 for the higher ones. Fifty levels were obtained using 145 s of CDC 7600 computing time.