| Affiliation: | 1. Laboratoire de Chimie Physique—Matière et Rayonnement, CNRS and UPMC, 11, rue Pierre et Marie Curie, 75005 Paris, France;2. Laboratoire de Chimie Physique—Matière et Rayonnement, CNRS and UPMC, 11, rue Pierre et Marie Curie, 75005 Paris, France
Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, 72, bd Tzarigradsko Chaussee, 1784 Sofia, Bulgaria;3. Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, 72, bd Tzarigradsko Chaussee, 1784 Sofia, Bulgaria |
| Abstract: | In this paper we investigate the variation, along the periodic table, of 2s-core ionization energies, using both relativistic and non-relativistic calculations. We show that electron relaxation energies display variations typical of the shell-filling process, while their relativistic contributions show specifically distorted shell features. Just as for the 1s-core ionization energies, investigated earlier, the sensitivity of these differential properties to the shell-filling process may be used as a probe of the accuracy of calculations of core ionization energies. Discrepancies with experimental results are critically analyzed. |
