On the Use of the Minimal STO‐3G Basis Set in Calculating The Geometries of Si Compounds

The minimal STO-3G basis set is applied to the ab initio calculation of the geometry of Si compounds. It is found that better results are obtained when scaling the ls H exponent scale factor to 1.06 instead of the usual value of 1.24. Changing the 3sp Si valence exponent seems to be less effective.