Fig. 4: Spectra for reduced H5O\({}_{2}^{+}\) models.
From: The coupling of the hydrated proton to its first solvation shell
Spectra obtained with the z-component of the dipole moment surfaces for reduced H5O\({}_{2}^{+}\) models by freezing modes to positions corresponding to their expectation values for H9O\({}_{4}^{+}\) a obtained with a dipole–dipole-correlation function of 2000 fs using a 14D model, b obtained with a dipole–dipole-correlation function of 2000 fs using a 9D model (black curve), and obtained as a stick spectrum using eigenstates (red lines). Source data are provided under https://doi.org/10.5281/zenodo.7064870.
