Abstract

The feasibility of laser-cooling BO+ cation is investigated by using the high-level ab initio calculation method. The potential energy curves (PECs) of the 24 Λ-S states are studied by the multi-reference configuration interaction (MRCI) method. The calculated spectroscopic constants of bound states of BO+ are in good agreement with available experimental and theoretical results. The dipole moments (DMs) of the BO+ ion are obtained and the transition dipole moments (TDMs) of 21Σ+-X1Σ+, 31Σ+-X1Σ+, 11Π-X1Σ+, 21Π-X1Σ+, 31Π-X1Σ+ and 21Π-11Π are calculated. Based on the computed PECs, the Franck-Condon factors (FCFs) of the 21Σ+-X1Σ+ transition are found to be highly diagonal. The radiative lifetime of the 21Σ+-X1Σ+ transition is calculated to be 36.73 ns, which is sufficiently short for laser cooling. The Einstein coefficient A and branching ratio R are evaluated, and the possibility of laser-cooling BO+ cation is discussed.

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