Gaussian Expansions of Atomic Orbitals

Abstract

The details of the method of least squares for obtaining approximate expansions of Slater-type orbitals in terms of Gaussian type orbitals are described. Such Gaussian expansions are given for the 1s, 2s, 2p, 3s, 3p and 3d Slater-type orbitals. These expansions will be good enough to use in the quantum mechenical calculations of molecules.