Atomic and Molecular Calculations with the Pseudopotential Method. VI. Two-Valence-Electron Energy Values for Doubly Excited States
- 1 April 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (7) , 3358-3361
- https://doi.org/10.1063/1.1673495
Abstract
The pseudopotential method is applied to a number of npms 1,3 P doubly excited states of Be, Mg, Al+, Si2+, Ca, and Zn. Most of these excited states are in the autoionizing region. Besides the pseudopotential approximation, the further approximation of “freezing” one of the two valence electrons is used. The fixed valence electron is selected to be the state of the one‐valence‐electron system which is the limit for the particular series of states in the two‐valence‐electron system, e.g., for the Be 1s 2 2pns 1,3 P series the fixed 2p valence electron is set at the value of the Be+ 1s 2 2p 2 P state. Comparison is made with the observed values and other calculated values with good agreement.Keywords
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