GAUSSIAN LOBE FUNCTION EXPANSIONS OF HARTREE-FOCK SOLUTIONS FOR SECOND-ROW ATOMS

Gaussian expansions of ground-state Hartree-Fock wavefunctions for the atoms sodium through argon are reported. The functions presented are designed primarily for use in molecular computations and consist only of functions of the form exp(-ar2); angular properties of real p orbitals are achieved by displacement of basis functions along coordinate axes. Variable exponents and coefficients are determined by maximization of the overlap of Gaussian orbitals with exponential Hartree-Fock expansions followed by selfconsistent-field minimization of atomic energies.