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The approximation of the stable core has been investigated, using small basis sets of the SCF -MO -LCGO-method. The results of the calculated three Gauss-functions and the total energies for the configuration (1s) 2  (2s) 2  of B + , C 2+ , N 3+ , O 4+  and F 5+  are given and compared with the basis sets of five Gauss-functions. A discussion on the quality of these basis sets for molecular calculations is given.

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Zur Besdireibung von Atonirümpfen init kleinen Basissätzen im Rahmen des SCF-MO-LCGO-Verfahrens / Describing of the core with small basis sets of the SCF-MO-LCGO-method