Van der Waals coefficients for systems with ultracold polar alkali-metal molecules

TL;DR

This paper systematically calculates van der Waals coefficients for ultracold alkali-metal atom and molecule systems using advanced quantum chemistry, aiding collision modeling in ultracold physics.

Contribution

It provides a comprehensive set of van der Waals coefficients and related properties for alkali-metal systems, enhancing modeling accuracy for ultracold molecular collisions.

Findings

Calculated dipole moments and polarizabilities for alkali-metal systems.

Derived van der Waals coefficients for atom-molecule and molecule-molecule interactions.

Provided data essential for ultracold collision models.

Abstract

A systematic study of the leading isotropic van der Waals coefficients for the alkali-metal atom + molecule and molecule + molecule systems is presented. Dipole moments and static and dynamic dipole polarizabilities are calculated employing high-level quantum chemistry calculations. The dispersion, induction, and rotational parts of the isotropic van der Waals coefficient are evaluated. The known van der Waals coefficients are then used to derive characteristics essential for simple models of the collisions involving the corresponding ultracold polar molecules.