Sticking Lifetime of Ultracold CaF Molecules in Triplet Interactions

J Phys Chem A. 2023 Jun 8;127(22):4815-4821. doi: 10.1021/acs.jpca.3c01676. Epub 2023 May 25.

Abstract

A six-dimensional potential energy surface is constructed for the spin-polarized triplet state of CaF-CaF by ab initio calculations at the CCSD(T) level of theory, followed by Gaussian process interpolation. The potential is utilized to calculate the density of states for this bialkaline-earth-halogen system where we find the value 0.038 μK-1, implying a mean resonance spacing of 26 μK in the collision complex. This value implies an associated Rice-Ramsperger-Kassel-Marcus lifetime of 1.8 μs, thus predicting long-lived complexes in collisions at ultracold temperatures.