Laser cooling with intermediate state of spin-orbit coupling of LuF molecule

This work presents a theoretical study of the laser cooling feasibility of the molecule LuF, in the fine structure level of approximation. An ab-initio complete active space self-consistent field (CASSCF)/MRCI with Davidson correction calculation has been done in the ?((+/-)) and omega((+/-)) representations. The corresponding adiabatic potential energy curves and spectroscopic parameters have been investigated for the low-lying electronic states. The calculated values of the internuclear distances of the X-3 sigma(0+) and (1)(3)pi(0+) states show the candidacy of the molecule LuF for direct laser cooling. Since the existence of the intermediate (1)(3)Delta(1) state cannot be ignored, the investigation has been done by taking into consideration the two transitions (1)(3)pi(0+)-(1)(3)Delta(1) and (1)(3)pi(0+) -X-3 sigma(0+). The calculation of the Franck-Condon factors, the radiative lifetimes, the total branching ratio, the slowing distance, and the laser cooling scheme study prove that the molecule LuF is a good candidate for Doppler laser cooling.

Automated summary

This study presents a theoretical investigation on the feasibility of laser cooling of LuF molecules in the fine structure approximation. Ab-initio calculations were performed to determine the potential energy curves, spectroscopic parameters, and internuclear distances of various electronic states. The results indicate that LuF is a suitable candidate for direct laser cooling, considering its electronic states and transitions. Comprehensive analyses, including Franck-Condon factors, radiative lifetimes, total branching ratio, slowing distance, and laser cooling scheme, further confirm the suitability of LuF for Doppler laser cooling.