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We use quantum and classical adiabatic capture theories to study the chemicalreaction Li + CaH -> LiH + Ca. Using a recently developed ab initio potentialenergy surface, which provides an accurate representation of long-rangeinteractions in the entrance reaction channel, we calculate the adiabaticchannel potentials by diagonalizing the atom-molecule Hamiltonian as a functionof the atom-molecule separation. The resulting adiabatic channel potentials areused to calculate both the classical and quantum capture probabilities as afunction of collision energy, as well as the temperature dependencies of thepartial and total reaction rates. The calculated reaction rate agrees well withthe measured value at 1 K [V. Singh et al., Phys. Rev. Lett. 108, 203201(2012)], suggesting that the title reaction proceeds without an activationbarrier. The calculated classical adiabatic capture rate agrees well with thequantum result in the multiple partial wave regime of relevance to theexperiment. Significant differences are found only in the ultracold limit (T <1 mK), demonstrating that adiabatic capture theories can predict the reactionrates with nearly quantitative accuracy in the multiple partial wave regime.

Adiabatic Channel Capture Theory Applied to Cold Atom-Molecule Reactions: Li + CaH -> LiH + Ca at 1 K