Rumson, Adrian F.Johnson, Erin R.2025-04-172025-04-172023-11-01J. Chem. Phys. 159, 174701 (2023)https://hdl.handle.net/10222/85000This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in the Journal of Chemical Physics, copyright © American Institute of Physics after peer review. To access the final edited and published work see https://doi.org/10.1063/5.0171959