Student Posters Repository

Describing complex correlations in atomic structure has been identified as one of the central objectives of atomic, molecular and optical physics in the coming decade, due to its fundamental importance and relevance to new experiments. The need for high-precision calculations of atomic properties of systems in the middle columns of the periodic table became even more urgent due to a number of applications dealing with physics beyond the Standard Model. We continue development of a broadly applicable atomic code package for predicting properties of open d- and f-shell systems to high precision. Our code is based on the combination of configuration interaction (CI). One of the main difficulties is the exponential scaling of the number of CI configurations with the number of the valence electrons, requiring massive amounts of computational resources. Current developments of this program include modernization of decade-old codes and algorithms, as well as implementation of MPI parallelization. In addition, new algorithms based on valence perturbation theory (PT) have been developed for selecting important CI configurations in order to optimize and reduce the high computational resource requirement.