Atomic and Molecular Calculations with Pseudopotential Method. IV. Excited Atomic Valence-Electron Energy Values, Wavefunctions, and Oscillator Strengths

The pseudopotential equation of Phillips and Kleinman is solved numerically for the first six S2 states, the first six P02 states, and the first five or six D2 states for the valence electron of the atoms Li, Na, K, Rb, Be+, Mg+, Ca+, Al++, Cu, and Zn+. From the calculated energy values it can be seen that the polarization effect of the valence electron on systems with large cores is important even when the valence electron is in a high excited state. The integrals needed to compute the oscillator strengths for all the allowed transitions between the calculated valence states are computed.