THE CORRELATION PART OF MOLECULAR-BINDING ENERGY OF SIMPLE, COVALENTLY BONDED MOLECULES FROM MINIMAL BASIS-SET AB-INITIO CALCULATIONS

Ab initio minimal basis set calculations, coupled with simple empirica l formulae, allow for the estimation of the correlation contribution t o the molecular binding energy for first and second row atoms in coval ently bonded molecules. (C) 1998 Elsevier Science B.V.