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《Chemical Research In Chinese Universities》 1986-03
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Analytical Potential Function for Polyatomic Systems——Application to SSO and SOS

Z. H. Zhu (Chemistry Department, Chengdu University of Science and Technology, Chengdu)  
It is considerable interest to notice that a stable structure SSO is in Cs symmetry, but its melastable structure SOS in C2 v symmetry. Using the contracted split-type Gaussian base sets with polarization functions, SOS was discovered for the first time at HFSCF level. There have been no detailed studies, of the SSO surface, 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 SSO and the SOS surfaces,which are adequate accuracy in the whole region for the dynamical research.
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