13C and 19F Nucleus-Electron Correlation and Self-Energies
Abstract
We present a theoretical and numerical study of the correlation between electrons and the fermionic 13C and 19F nuclei. We use the random-phase approximation (RPA) as a valuable tool in obtaining these correlation energies. A special connection between the RPA and second-order perturbation theory for the inter-fermionic interaction is outlined. Subsequently, Green's function based GW self-energies are evaluated for the nuclear densities. The strong influence of self-interaction errors is outlined, and vertex corrections are shown to be strictly necessary to obtain reasonable results. The theoretical and technical requirements for a quantum mechanical treatment of 13C and 19F nuclei are also addressed in this work, thereby facilitating further research in this area.
Turn this paper into a lesson
ArcXiv compiles a structured reading guide from this paper's metadata: plain-English importance, contributions, prerequisite concepts, which sections to read first, flashcards, and a quiz. Grounded in the abstract, never invented.