The two-particle-hole Tamm-Dancoff approximation (2ph-TDA) for atoms
- 28 October 1981
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 14 (20) , 3805-3826
- https://doi.org/10.1088/0022-3700/14/20/006
Abstract
An extended version of the so-called two-particle-hole Tamm-Dancoff approximation (2ph-TDA) scheme for the one-particle Green's function is presented. Symmetry reduced 2ph-TDA equations for applications to atoms are derived. With the aid of this method theoretical ionisation spectra for the two outermost shells of the alkaline-earth elements Be, Mg and Ca are calculated. The results are compared with experimental data and with other theoretical results. The energies of the outer-shell main ionic states are very accurately reproduced by the extended 2ph-TDA calculations. Pronounced final (ionic) correlation effects are found for the Ca M-shell ionisation. In particular the Ca 3s ionisation spectrum shows strong mixing of the 3s hole with 3p43d4s2 configurations.Keywords
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