Structure of the Alkali-metal-atom-Strontium molecular ions: towards photoassociation and formation of cold molecular ions

TL;DR

This study calculates the electronic properties of alkali-metal-atom-Strontium molecular ions to guide experiments on forming cold molecular ions via photoassociation and charge exchange.

Contribution

It provides detailed quantum chemistry calculations of potential energy curves and dipole moments for these molecular ions, aiding experimental efforts.

Findings

Potential energy curves and dipole moments are characterized.

Possible pathways for photoassociation and charge exchange are discussed.

Guidelines for forming stable cold molecular ions are proposed.

Abstract

The potential energy curves, permanent and transition dipole moments, and the static dipolar polarizability, of molecular ions composed of one alkali-metal atom and a Strontium ion are determined with a quantum chemistry approach. The molecular ions are treated as effective two-electron systems and are treated using effective core potentials including core polarization, large gaussian basis sets, and full configuration interaction. In the perspective of upcoming experiments aiming at merging cold atom and cold ion traps, possible paths for radiative charge exchange, photoassociation of a cold Lithium or Rubidium atom and a Strontium ion are discussed, as well as the formation of stable molecular ions.