Abstract
The effect of conical intersections (CIs) on electronic relaxation, transitions from excited states to ground states, is well studied, but their influence on hyperfine quenching in a reactant molecule is not known. Here, we report on ultracold collision dynamics of the hydroxyl free-radical OH with Sr atoms leading to quenching of OH hyperfine states. Our quantum-mechanical calculations of this process reveal that quenching is efficient due to anomalous molecular dynamics in the vicinity of the conical intersection at collinear geometry. We observe wide scattering resonance features in both elastic and inelastic rate coefficients at collision energies below k_{text {B}}times 10 , hbox {mK}. They are identified as either p- or d-wave shape resonances. We also describe the electronic potentials relevant for these non-reactive collisions, their diabatization procedure, as well as the non-adiabatic coupling between the diabatic potentials near the CIs.
Highlights
A diverse list of promising applications for ultracold molecular processes governed by quantum mechanics exists
We focus on the role of conical intersections (CIs) in the hyperfine quenching of OH molecules in collisions with ultracold Sr atoms
The relevant electronic structure of the tri-atomic system is well characterized by three non-relativisitic diabatic electronic potential surfaces: two shallow nearly-degenerate at large R van-der-Waals-bonded potentials labeled by 4 2A′(F2 ) and 4 2A′′(F2 ) that dissociate to ground-state Sr(1S ) and OH(2 ) and one deep ionically-bound potential labeled by 1 2A′(X2 +)
Summary
A diverse list of promising applications for ultracold molecular processes governed by quantum mechanics exists This includes creating new types of s ensors[1], advancing quantum information science[2,3,4], simulation of complex exotic m aterials[5,6], performing precision spectroscopy to test the Standard Model of particle p hysics[7,8,9,10], and, excitingly, the promise of quantum control of chemical reactions[11,12,13] as each molecule can be prepared in a unique ro-vibrational quantum state. A collision of this molecular ion with a polarizable ultracold atom encourages the two to thermalize via vibrational relaxation and elastic momentum-changing collisions
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