Chem. J. Chinese Universities ›› 1986, Vol. 7 ›› Issue (3): 265.

• Articles • Previous Articles     Next Articles

Analytical Potential Function for Polyatomic Systems—Application to SSO and SOS

Z. H. Zhu   

  1. Chemistry Department, Chengdu University of Science, Technology, Chengdu
  • Received:1984-11-05 Online:1986-03-24 Published:1986-03-24

Abstract: It is considerable interest to notice that a stable structure SSOis in Cs symmetry, but its melastable structure SOSin C2v symmetry. Using the contracted split-type Gaussian base sets with polarization functions, SOSwas discovered for the first time at HFSCFlevel. There have been no detailed studies, of the SSOsurface, although it was examined by a microwave spectrum as early as 1959. In this paper an analytical potential function based on the many-body expansion has been derived for both the SSOand the SOSsurfaces,which are adequate accuracy in the whole region for the dynamical research.

TrendMD: