Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2025
|
| Schlagworte: | |
| Online-Zugang: | https://arxiv.org/abs/2505.16489 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866913852318285824 |
|---|---|
| author | Klimeš, Jiří Soldán, Pavel |
| author_facet | Klimeš, Jiří Soldán, Pavel |
| contents | Homonuclear spin-polarized alkali-metal trimers in their lowest-lying electronic state are investigated theoretically. Their equilibrium geometries and binding energies are determined with the state-of-the-art quantum chemical methods at three levels of approximation. The equilibrium geometries obtained $R_{\rm eq}({\rm Li}_3) = 3.100$ Å, $R_{\rm eq}({\rm Na}_3) = 4.353$ Å, $R_{\rm eq}({\rm K}_3) = 4.996$ Å, $R_{\rm eq}({\rm Rb}_3) = 5.391$ Å, and $R_{\rm eq}({\rm Cs}_3) = 5.730$ Å are compared to the other theoretical results and also with the very recent experimental results obtained through the laser-induced Coulomb explosion. Further theoretical studies are proposed, which could help with better interpretation of the experimental results for the sodium and cesium trimers. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_16489 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Spin-polarized alkali-metal trimers revisited Klimeš, Jiří Soldán, Pavel Chemical Physics Homonuclear spin-polarized alkali-metal trimers in their lowest-lying electronic state are investigated theoretically. Their equilibrium geometries and binding energies are determined with the state-of-the-art quantum chemical methods at three levels of approximation. The equilibrium geometries obtained $R_{\rm eq}({\rm Li}_3) = 3.100$ Å, $R_{\rm eq}({\rm Na}_3) = 4.353$ Å, $R_{\rm eq}({\rm K}_3) = 4.996$ Å, $R_{\rm eq}({\rm Rb}_3) = 5.391$ Å, and $R_{\rm eq}({\rm Cs}_3) = 5.730$ Å are compared to the other theoretical results and also with the very recent experimental results obtained through the laser-induced Coulomb explosion. Further theoretical studies are proposed, which could help with better interpretation of the experimental results for the sodium and cesium trimers. |
| title | Spin-polarized alkali-metal trimers revisited |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2505.16489 |