Production of ultracold asymmetric tops from Sr atoms and SrOH molecules

TL;DR

This paper explores the theoretical feasibility of creating ultracold asymmetric top molecules from Sr atoms and SrOH molecules, using advanced calculations and simulations to identify promising pathways for molecular formation and state transfer.

Contribution

It provides a comprehensive theoretical analysis combining ab initio calculations and quantum scattering to identify interaction potentials and transfer schemes for ultracold Sr-SrOH molecules.

Findings

Identification of strongly anisotropic, non-reactive interaction potentials.

Dense spectrum of near-threshold resonances.

Feasibility of coherent transfer to rovibrational ground state.

Abstract

We report the comprehensive theoretical investigation of the Sr-SrOH system identifying it as a promising route to production of ultracold asymmetric top molecules. Combining high-level ab initio electronic structure calculations with rigorous quantum scattering simulations, we determine strongly anisotropic, non-reactive interaction potential and an exceptionally dense spectrum of near-threshold resonances. Presented excited states, transition dipole moments, and results of the one-dimensional STIRAP model suggest the possibility of coherently transferring weakly bound complexes to the rovibrational ground state.