Analytical Self-Consistent Field Functions for Positive Ions. II. Isoelectronic Series with 11 to 18 Electrons

Abstract

Analytical self-consistent field (SCF) functions for the neutral atoms and positive ions isoelectronic series of 11 to 18 electrons with Z=11 to Z=36 are presented. These computations include the ground state and the excited states for the lowest configurations. As in previous reported work, the basis set of Slater-type orbitals is fully optimized in the orbital exponents, and considerable effort is spent in ensuring accurate and short expansions. The computational results are discussed only in the most important aspects. The total energies for each isoelectronic series are condensed in a power series of Z. These empirical power expansions show a regular dependency on the number of electrons and give an accurate fitting of the several hundreds of states computed. The relation between the ionization potentials and orbital energy is discussed. The experimental excitation energies are compared with the computed. The problem of the ``goodness'' of the SCF functions is briefly examined in relation to the one-electron operator expectation values.