AI Article Synopsis
- Thirteen Λ-S states of the TlBr molecule are evaluated using multireference configuration interaction (MRCI) with Davidson correction, focusing on their spectroscopic constants and dipole moments.
- Two of these states are found to split into five Ω states due to spin-orbit coupling (SOC), with an analysis of how molecular configurations interact under this effect.
- The study calculates the Franck-Condon factors and radiative lifetime for the aΠ ↔ ΧΣ transition and assesses the potential for laser cooling of TlBr by comparing it with thallium compounds and group-IIIA bromides.
Article Abstract
Thirteen Λ-S states of TlBr molecule are calculated by the method of multireference configuration interaction (MRCI) plus Davidson correction (+Q), and the spectroscopic constants of these states are fitted. The dipole moment of thirteen Λ-S states are also included and analyzed in this calculation. Two bound states split into five Ω states with the SOC effect. The interaction between the molecular configurations of TlBr is analyzed with spin orbit coupling. Considering the forbidden transition, transition dipole moment with SOC effect is considered. On account of the accurate potential energy curves and the transition dipole moment, the Franck-Condon factors and radiative lifetime of the aΠ ↔ ΧΣ transition are calculated. The feasibility of laser cooling of TlBr molecule is analyzed by comparing with the thallium compounds and the bromides of the group-IIIA.
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| http://dx.doi.org/10.1016/j.saa.2020.118998 | DOI Listing |
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