This report contains a collection of atomic SCF functions for the atoms H through Ne employing optimized basis sets of Gaussian-type orbitals (GTO). A wide range of basis set sizes has been covered, including 13 s sets for Li and Be, and 13s8p sets for B-F, thus bringing near-Hartree-Fock calculations on molecules containing these atoms within reach. New 6s3p sets containing two s-GTO's in the 2s valence region are reported as well. An introductory section provides an explanation of the tables and some notes on molecular applications using these sets.
By: F. B. van Duijneveldt
Published in: RJ945 in 1971
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