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.