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Rigorous quantum scattering calculations on ultracold molecular collisions inexternal fields present an outstanding computational problem due to stronglyanisotropic atom-molecule interactions that depend on the relative orientationof the collision partners, as well as on their vibrational degrees of freedom.Here, we present the first numerically exact three-dimensional quantumscattering calculations on strongly anisotropic atom-molecule (Li+CaH)collisions in an external magnetic field based on the parity-adapted totalangular momentum representation and a new three-dimensional potential energysurface (PES) for the triplet Li-CaH collision complex using the unrestrictedcoupled cluster method with single, double and perturbative triple excitations[UCCSD(T)] and a large quadruple-zeta type basis set. We find that while thefull three-dimensional treatment is necessary for the accurate description ofLi ($M_S=1/2$)+CaH ($v=0,N=0,M_S=1/2$) collisions as a function of magneticfield, the magnetic resonance density and statistical properties ofspin-polarized atom-molecule collisions are not strongly affected byvibrational degrees of freedom, justifying the rigid-rotor approximation usedin previous calculations. We observe rapid, field-insensitive vibrationalquenching in ultracold Li ($M_S=1/2$)+CaH ($v=1,N=0, M_S=1/2$) collisions,leading to efficient collisional cooling of CaH vibrations.

Full-dimensional quantum scattering calculations on ultracold atom-molecule collisions in magnetic fields: The role of molecular vibrations