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Cold reactive and non-reactive collisions of Li and Rb with C$_2^-$: implications for hybrid trap experiments

Published 4 Oct 2018 in physics.atom-ph, physics.chem-ph, and quant-ph | (1810.02295v2)

Abstract: We present a theoretical investigation of cold reactive and non-reactive collisions of Li and Rb atoms with C${2}{-}$. The potential energy surfaces for the singlet and triplet states of the Li--C${2}{-}$ and Rb--C${2}{-}$ systems have been obtained using the CASSCF/ic-MRCI+Q approach with extended basis sets. The potential energy surfaces are then used to investigate the associative detachment reaction and to calculate rotationally inelastic cross sections by means of the close-coupling method. The effect of the core correlation on the potential energy surfaces is discussed and we estimate the error on the collisional cross sections induced by freezing the $1s$ orbitals of the carbon atoms. The results are compared to those obtained for the Rb-OH${-}$ system and the applications for hybrid trap experiments are explored. Furthermore, we discuss the possibility to perform Doppler thermometry on the C${2}{-}$ anion and investigate the collision process involving excited states. The implications for sympathetic cooling experiments are also discussed.

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