English

$^{13}$C and $^{19}$F Nucleus-Electron Correlation and Self-Energies

Chemical Physics 2026-04-29 v1

Abstract

We present a theoretical and numerical study of the correlation between electrons and the fermionic 13^{13}C and 19^{19}F 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 GWGW 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 13^{13}C and 19^{19}F nuclei are also addressed in this work, thereby facilitating further research in this area.

Keywords

Cite

@article{arxiv.2604.24946,
  title  = {$^{13}$C and $^{19}$F Nucleus-Electron Correlation and Self-Energies},
  author = {Janina Vohdin and Christof Holzer},
  journal= {arXiv preprint arXiv:2604.24946},
  year   = {2026}
}