Charge transfer in the cold Yb$^+$ + Rb collisions

TL;DR

This paper provides a detailed theoretical study of charge transfer in cold Yb$^+$ + Rb collisions, revealing radiative pathways, resonance structures, and agreement with experimental rate measurements.

Contribution

It introduces high-level ab initio calculations of potential energy curves and charge transfer pathways, highlighting the role of radiative processes and resonances in cold ion-atom collisions.

Findings

Radiative charge transfer is the dominant pathway.

Collision cross sections exhibit resonance structures.

Theoretical rates match experimental data for Yb isotopes.

Abstract

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 $A^1\Sigma^+$ to the ground $X^1\Sigma^+$ 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.