Atomic many-body perturbation theory using radially restricted basis functions
- 1 May 1980
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 21 (5), 1364-1375
- https://doi.org/10.1103/physreva.21.1364
Abstract
The construction of a potential barrier around an atom such that a chosen zeroth-order reference state is left unaffected results in a square-integrable virtual basis set with rapid convergence properties for use in atomic many-body perturbation theory. Encouraging results have been obtained using this technique for calculations of the correlation energies and transition probabilities of small atoms and ions. In the case of it is shown that the conventional formulation of many-body perturbation theory involving continuum functions produces classes of energy diagrams which diverge with order, although the total summation remains finite. No such divergence is present in a properly constructed contracted basis set.
Keywords
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