Small Gaussian Expansions of Atomic Orbitals: Second-Row Atoms

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Abstract
Gaussian expansions of Clementi's SCF atomic orbitals for the second‐row atoms have been obtained by the method of least squares. Expansion lengths vary from two through six GTO's. Total energy evaluations of the least‐squares expansions reveals a rather slow convergence rate with increasing number of GTO's to the Hartree–Fock limit. The GTO AO's in this work have optimal space filling properties and are useful for rapid evaluation of generalized x‐ray scattering factors of second‐row atoms.

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