Atomic Structure Calculations Using Configuration-Interaction And Many-Body Perturbation Theory For Spectral Modelling Of Neutron Star Mergers : Example Of Ce I - Iv

Abstract: The binary neutron star merger of 2017 and its corresponding electromagnetic signature resembling that of a kilonova has been one of the most groundbreaking astrophysical occurrences in the last decade. Indications of r-process nucleosynthesis in this event presents new opportunities for learning about the astrophysical origin of heavy elements. This has been a long-standing mystery in our understanding of the chemical evolution of the universe. This leads to the requirement of developing more accurate calculations of the corresponding atomic properties. In this work, I have studied the potential of utilizing a combined configuration-interaction and many-body perturbation theory approach.The goal is to study if a generalized and computationally efficient method is possible with this approach, so that it can be used to develop accurate and complete atomic structures applicable to any ion of any element in the periodic table. Focusing on the lanthanide group of elements, and in Ce in particular, the method in this work builds on including the bulk of strong correlation contributions in the configuration-interaction model, complemented with perturbation theory corrections in subsequent many-body perturbation theory calculations. For all Ce ions, this was however not possible without having to compromise the completeness condition. In conclusion, in the scope of this project, we find that it is challenging to generalize a procedure for near-neutral systems due to the amount of correlation needed to be treated with configuration-interaction.