Pseudopotential calculations for alkaline-earth atoms
- 14 April 1985
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 18 (7) , 1287-1296
- https://doi.org/10.1088/0022-3700/18/7/010
Abstract
Semi-empirical pseudopotentials including core-valence correlation have been adjusted to properties of the single-valence-electron ions X+ (X=Be to Ba). The pseudopotentials are tested in valence CI calculations for the ionisation potentials (IP) and dipole polarisabilities ( alpha ) of the neutral atoms. Agreement with experiment to about 0.02 eV is achieved for the IP; the computed alpha are probably more accurate than present experimental data.Keywords
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