Combination of perturbation theory with the configuration-interaction method

The present atomic theory provides accurate and reliable results for atoms with a small number of valence electrons. However, most current methods of calculations fail when the number of valence electrons exceeds four or five. This means that we cannot make reliable predictions for more than half of the periodic table. Here we suggest a modification of the configuration interaction plus many-body perturbation theory, which may be applicable to atoms and ions with partly filled d and f shells.

Automated summary

The current atomic theory provides accurate and reliable results for atoms with a small number of valence electrons. However, most current calculation methods fail when the number of valence electrons exceeds four or five. This means that reliable predictions cannot be made for more than half of the periodic table. Here, we propose a modification of the configuration interaction plus many-body perturbation theory that may be applicable to atoms and ions with partly filled d and f shells.