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The TlCl molecule has previously been investigated theoretically and proposedas promising candidates for laser cooling searches [X. Yuan et. al. J. Chem.Phys., 149, 094306, 2018]. From these results, the cooling process, which wouldproceed by transitions between a\sup{3}{\Pi}\sup{+}\sub{0} andX\sup{1}{\Sigma}\sup{+}\sub{0} states, had as potential bottleneck the longlifetime (6.04 {\mu}s) of the excited state a\sup{3}{\Pi}\sup{+}\sub{0} , thatwould prohibit experimentally control the slowing region. Here, we revisit thissystem by employing four-component Multireference Configuration Interaction(MRCI) calculations, and investigate the effect of such approaches on thecalculated transition moments between a\sup{3}{\Pi}\sup{+}\sub{0} anda\sup{3}{\Pi}\sub{1} excited states of TlCl as well as TlF, the latter servingas a benchmark between theory and experiment. Wherever possible, MRCI resultshave been cross-validated by, and turned out to be consistent with,four-component equation of motion coupled-cluster (EOM-CC) and polarizationpropagator (PP) calculations. We find that the results of TlF are very closedto experiment values, while for TlCl the lifetime of the a3{\Pi}+0 state is nowestimated to be 175 ns, which is much shorter than previous calculationsindicated, thus yielding a different, more favorable cooling dynamics. Bysolving the rate-equation numerically, we provide evidence that TlCl could havecooling properties similar to those of TlF. Our investigations also point tothe potential benefits of enhancing the stimulated radiation in optical cycleto improve cooling efficiency.

Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations