A six-dimensional potential energy surface is constructed for the spin-polarized triplet state of CaF-CaF by \textitab 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 bi alkaline-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 18 μs, thus predicting long-lived complexes in collisions at ultracold temperatures.

}, year = {2023}, journal = {The Journal of Physical Chemistry A}, volume = {127}, pages = {4815–4821}, month = {2023-05}, doi = {10.1021/acs.jpca.3c01676}, note = {Submitte: 20230314}, }