Benchmarking Proton Tunneling Splittings with a Wavefunction-Based Double-Well Model: Application to the Formic Acid Dimer
This paper develops and validates a wavefunction-based one-dimensional Cornell-type double-well model for calculating proton tunneling splittings, demonstrating its effectiveness as a benchmarking tool by accurately reproducing the tunneling splitting of the formic acid dimer while highlighting the pedagogical value and limitations of simplified models compared to full multidimensional quantum treatments.