Abstract
Vertical ionization potentials, electron affinities and information about quasi-particles can be obtained by using the technique of the single-particle propagator. The expansion of the self-energy part up to third order perturbation theory can be evaluated numerically, but does not lead, in most cases, to satisfying results. A theoretical and numerical analysis of the diagrammatic expansion of the self-energy part requires the introduction of a renormalized interaction and renormalized hole and particle lines.
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Cederbaum, L.S. Direct calculation of ionization potentials of closed-shell atoms and molecules. Theoret. Chim. Acta 31, 239–260 (1973). https://doi.org/10.1007/BF00526514
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DOI: https://doi.org/10.1007/BF00526514