Modeling interactions between rubidium atom and magnetometer cell wall molecules.
| Autor: | David G; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom., Wibowo-Teale AM; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom., Rogers DM; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom. |
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| Jazyk: | angličtina |
| Zdroj: | The Journal of chemical physics [J Chem Phys] 2024 Jul 07; Vol. 161 (1). |
| DOI: | 10.1063/5.0201903 |
| Abstrakt: | Magnetometer cell wall coat molecules play an important role in preserving the lifetime of pumped alkali metal atoms for use in magnetometers that are capable of measuring very small magnetic fields. The goal of this study is to help rationalize the design of the cell coat molecules. Rubidium-87 is studied in terms of its interaction with three template cell coat molecules: ethane, ethene, and methyltrichlorosilane (MeTS). Ab initio electronic structure methods are applied to investigate the effect that the coat molecules have on the 2S ground state and 2P excited state of 87Rb. We find that, from the ab initio results, the three template molecules have differing effects, with MeTS having the largest effect on the ground state and ethane or ethene having the largest effect on the non-degenerate excited states. (© 2024 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC) license (https://creativecommons.org/licenses/by-nc/4.0/).) |
| Databáze: | MEDLINE |
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