A b i n i t i o and model potential calculations for the ground state of SO2

Abstract

Ab initio and model potential SCF MO calculations have been carried out for the ground state of SO₂, using Gaussian‐type functions. The equilibrium geometry is computationally determined to a good accuracy with d‐type function added on both S and O. Agreement between the results of the full ab initio and model potential calculations is very satisfactory.