Atomic and Molecular Calculations with the Pseudopotential Method. V. Two-Valence-Electron Energy Values and Oscillator Strengths for Some (ns)2 Ground States and (nsml) Singly Excited States

Abstract

The pseudopotential method is applied to a number of two‐valence‐electron ground states and singly excited states. For the ${\mathrm{(ns)}}^2$ ground‐state configurations of Li⁻, Na⁻, K⁻, Rb⁻, Cu⁻, Ag⁻, Be, Mg, Ca, Zn, and Al⁺ a two‐electron pseudopotential equation equivalent to the Hartree–Fock equation is solved. For Be and Ca a number of singly excited states of the form (nsml) are calculated using a further approximation where the nonexcited valence electron is “frozen.” The ${}^{\text{1,3}}S$ and ${}^{\text{1,3}}P$ states with $\text{m\hspace{0.17em}=\hspace{0.17em}2−4}$ for Be and $\text{m\hspace{0.17em}=\hspace{0.17em}4−6}$ for Ca and also the ${}^{\text{1,3}}D$ states with $\text{m\hspace{0.17em}=\hspace{0.17em}3−5}$ for Ca are computed. The transition integrals and $f$ values using the calculated values for all allowed transitions are given.