Weatherby, Joseph A.Rumson, Adrian F.Price, Alastair J. A.Otero de la Roza, AlbertoJohnson, Erin R.2023-05-262023-05-262022-03-15Published Version: J. Chem. Phys. 156, 114108 (2022) https://doi.org/10.1063/5.0083082http://hdl.handle.net/10222/82598This 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/10.1063/5.0083082Article