GAUSSIAN-TYPE AND SLATER-TYPE BASES FOR GROUND AND CERTAIN LOW-LYING EXCITED-STATES OF POSITIVE AND NEGATIVE-IONS OF THE ATOMS H THROUGH XEBASED ON THE GENERATOR-COORDINATE HARTREE-FOCK METHOD

We applied a discretized version of the generator coordinate Hartree-F ock (GCHF) method to generate Gaussian- and Slater-type functions for mono positive and mono negative ions of the atoms H through Xe. The ba sis sizes for Slater-type functions are (12s, 10p, 10d) for positive i ons, and (13s, 11p, 10d) for negative ions. In the case of Gaussian-ty pe functions the bases are (18s, 12p, 11d) for both positive and negat ive species. Ground and excited state Hartree-Fock energies are calcul ated with these bases and the results compared with the best atom-opti mized calculations and numerical HF results available. A discussion on the role of weight functions in the evaluation of electronic energies emphasizes the integral character of the GCHF method.