New procedure for generating valence and Rydberg orbitals

Abstract

A previously proposed procedure for generating approximate valence, Rydberg, and continuum orbitals from spectral data is extended to two-valence electron systems. Oscillator strengths and photoionization cross sections are reported for the respective 1s²2s² →1s²2s np and 1s²2s²→1s²2s ep transitions of Be, B⁺, C⁺⁺, N⁺⁺⁺, 0⁺⁴, Ne⁺⁶, Mg⁺⁸, Al⁺⁹, and Si⁺¹⁰. Comparisons show a high level of agreement with Hartree-Fock oscillator strengths, but the accuracy of the cross sections is uncertain.