Modeling interactions between rubidium atom and magnetometer cell wall molecules

David, Grégoire; Wibowo-Teale, Andrew M.; Rogers, David M.

Abstract

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.

Citation

David, G., Wibowo-Teale, A. M., & Rogers, D. M. (2024). Modeling interactions between rubidium atom and magnetometer cell wall molecules. Journal of Chemical Physics, 161(1), Article 014301. https://doi.org/10.1063/5.0201903

• Journal Article Type: Article
• Acceptance Date: Jun 17, 2024
• Online Publication Date: Jul 1, 2024
• Publication Date: Jul 7, 2024
• Deposit Date: Jul 2, 2024
• Publicly Available Date: Jul 2, 2024
• Journal: Journal of Chemical Physics
• Print ISSN: 0021-9606
• Electronic ISSN: 1089-7690
• Publisher: American Institute of Physics
• Peer Reviewed: Peer Reviewed
• Volume: 161
• Issue: 1
• Article Number: 014301
• DOI: https://doi.org/10.1063/5.0201903
• Keywords: Quantum chemistry, Electronic structure methods, Excited states, Magnetic field sensors, Rubidium
• Public URL: https://nottingham-repository.worktribe.com/output/36865254
• Publisher URL: https://pubs.aip.org/aip/jcp/article/161/1/014301/3300347/Modeling-interactions-between-rubidium-atom-and