Small Gaussian Expansions of Slater-Type Orbitals

Abstract

Small Gaussian expansions of Slater‐type orbitals by the method of least squares are presented. Expansion lengths are from one to six. Slater‐type orbitals $\text{1s}$ through $\text{5g}$ are included. The least‐squares equations were solved by a full‐matrix method. Expectation values, $r^{\text{−2}}{\mathrm{,\; r}}^{\text{−1}}\mathrm{,\; r}$ , and $r^2$ for the several expansions are tabulated. Orbital products of the small Gaussian expansions have been Fourier analyzed and are satisfactory for x‐ray scattering analysis of x‐ray diffraction data or of molecular wavefunctions comprised of extended STO basis sets.