Atomic and Molecular Calculations with the Pseudopotential Method. VII One-Valence-Electron Photoionization Cross Sections
- 1 November 1970
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 53 (9) , 3635-3640
- https://doi.org/10.1063/1.1674543
Abstract
The pseudopotential method is applied to evaluate continuum wavefunctions for a number of atomic one‐valence‐electron systems. Combining the continuum results with the ground states previously calculated, the photoionization cross sections for the transitions of each system are evaluated. The following atoms and ions are investigated with the indicated continuum energy range above the ionization threshold: Li, Be+, B2+, C3+, Na, Mg+, Al2+, and Si3+ from 0–2.0 Ry; K, Ca+, and Rb from 0–0.6 Ry; and Cu, Zn+, and Ag from 0–0.8 Ry. Comparison is made to other calculated values with good agreement and to the observed values of Li, Na, K, and Rb with reasonable agreement.
Keywords
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