$^{13}$C and $^{19}$F Nucleus-Electron Correlation and Self-Energies
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arXiv
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| Format: | Preprint |
| Published: |
2026
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| _version_ | 1866918470734577664 |
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| author | Vohdin, Janina Holzer, Christof |
| author_facet | Vohdin, Janina Holzer, Christof |
| contents | We present a theoretical and numerical study of the correlation between electrons and the fermionic $^{13}$C and $^{19}$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 $GW$ 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 $^{13}$C and $^{19}$F nuclei are also addressed in this work, thereby facilitating further research in this area. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_24946 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | $^{13}$C and $^{19}$F Nucleus-Electron Correlation and Self-Energies Vohdin, Janina Holzer, Christof Chemical Physics We present a theoretical and numerical study of the correlation between electrons and the fermionic $^{13}$C and $^{19}$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 $GW$ 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 $^{13}$C and $^{19}$F nuclei are also addressed in this work, thereby facilitating further research in this area. |
| title | $^{13}$C and $^{19}$F Nucleus-Electron Correlation and Self-Energies |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2604.24946 |