Abstract
Gaussian expansions of the SCF functions for the first row atoms, boron through fluorine, in ground and low-lying electronic states have been generated under a wide range of radial weighting conditions by a full least-squares procedure. Typical results are presented and the quality of the wavefunctions obtained are analyzed in terms of regional electron densities and a variety of expectation values including energies. A novel method for recursive evaluation of repeated integrals of the error function, F l (α,ζ), is adopted and analyzed. These integrals are central quantities in the least-squares procedure employed.
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