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
- 1 December 1969
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 51 (11) , 5090-5095
- https://doi.org/10.1063/1.1671906
Abstract
The pseudopotential method is applied to a number of two‐valence‐electron ground states and singly excited states. For the 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 and states with for Be and for Ca and also the states with for Ca are computed. The transition integrals and values using the calculated values for all allowed transitions are given.
Keywords
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