Alexei A. Buchachenko

We present accurate ab initio and quantum scattering calculations on a prototypical hybrid ion-atom system Yb$^+$-Rb, recently suggested as a promising candidate for the experimental study of open quantum systems, quantum information processing, and quantum simulation. We identify the second-oder spin-orbit (SO) interaction as the dominant source of hyperfine relaxation and decoherence in cold Yb$^+$-Rb collisions. Our results are in good agreement with recent experimental observations [L. Ratschbacher et al., Phys. Rev. Lett. 110, 160402 (2013)] of hyperfine relaxation rates of trapped Yb$^+$ immersed in an ultracold Rb gas. The calculated rates are 4 times smaller than predicted by the Langevin capture theory and display a weak $T^{-0.3}$ temperature dependence, indicating significant deviations from statistical behavior. Our analysis underscores the deleterious nature of the SO interaction and implies that light ion-atom combinations such as Yb$^+$-Li should be used to minimize hyperfine relaxation and decoherence of trapped ions in ultracold atomic gases.

Charge-transfer cold Yb$^+$ + Rb collision dynamics is investigated theoretically using high-level {\it ab initio} potential energy curves, dipole moment functions and nonadiabatic coupling matrix elements. Within the scalar-relativistic approximation, the radiative transitions from the entrance $A^1Σ^+$ to the ground $X^1Σ^+$ state are found to be the only efficient charge-transfer pathway. The spin-orbit coupling does not open other efficient pathways, but alters the potential energy curves and the transition dipole moment for the $A-X$ pair of states. The radiative, as well as the nonradiative, charge-transfer cross sections calculated within the $10^{-3}-10$ cm$^{-1}$ collision energy range exhibit all features of the Langevin ion-atom collision regime, including a rich structure associated with centrifugal barrier tunneling (orbiting) resonances. Theoretical rate coefficients for two Yb isotopes agree well with those measured by immersing Yb$^+$ ion in an ultracold Rb ensemble in a hybrid trap. Possible origins of discrepancy in the product distributions and relations to previously studied similar processes are discussed.