CrRb: a molecule with large magnetic and electric dipole moments

TL;DR

This paper presents detailed calculations of the electronic structure and long-range interactions of the CrRb molecule, highlighting its large electric dipole moment and potential for ultracold collision studies.

Contribution

It provides the first theoretical estimates of potential energy curves, dispersion coefficients, and electric dipole moments for the CrRb molecule, advancing understanding of its properties.

Findings

Van der Waals coefficient C6=1770 a.u. with 3% error

Electric dipole moment of 2.90 D at equilibrium

Elastic to inelastic collision ratio of 100-1000

Abstract

We report calculations of Born-Oppenheimer potential energy curves of the chromium-rubidium heteronuclear molecule 52Cr-87Rb, and the long-range dispersion coefficient for the interaction between ground state Cr and Rb atoms. Our calculated van der Waals coefficient (C6=1770 a.u.) has an expected error of 3%. The ground state 6Sigma+ molecule at its equilibrium separation has a permanent electric dipole moment of de (Re=3.34 A) = 2.90 D. We investigate the hyperfine and dipolar collisions between trapped Cr and Rb atoms, finding elastic to inelastic cross section ratio of 100-1000.