Polyatomic candidates for cooling of molecules with lasers from simple theoretical concepts

TL;DR

This paper proposes a theoretical method to identify polyatomic molecules suitable for laser cooling, using first-principles calculations of molecular structures and Franck-Condon factors to find promising candidates.

Contribution

It introduces a rational, first-principles approach to select polyatomic molecules for laser cooling based on their structural and electronic properties.

Findings

First-principles calculations show high potential for laser cooling in selected molecules.

Polyatomic molecules with various symmetries, including chiral groups, are promising candidates.

The approach simplifies the identification process for laser-coolable molecules.

Abstract

A rational approach to identify polyatomic molecules that appear to be promising candidates for direct Doppler cooling with lasers is outlined. First-principle calculations for equilibrium structures and Franck--Condon factors of selected representatives with different point-group symmetries (including chiral non-symmetric group C$_1$) have been performed and high potential for laser-cooling of these molecules is indicated.