Fig. 1
From: Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering
Resonant inelastic X-ray scattering (RIXS) spectra of water in gas/liquid-phase under 4a1/pre-edge core-excitation. a Theoretical RIXS spectra of gas-phase and liquid water vs. the energy loss (ω − ω′). The inset shows energy of resonant excitation in the experimental XAS of free water molecules and liquid water (from ref. 15). b Experimental RIXS spectra of gas-phase and liquid water. The inset compares experimental (circles) and theoretical (squares) peak widths in meV as a function of the peak number m. c Ab initio potential energy curves along the OH bonds for each of the 64 sampled water molecules in liquid water. d Partial densities of the vibrational states ρn (see Eq. (7)) and the total density of states \(\rho = \mathop {\sum}\nolimits_n {\kern 1pt} \rho _n\) together with the RIXS profile σ. e Overlap of the partial RIXS cross-sections results in the formation of a background shown in yellow (compare with the overlap of the partial densities of vibrational states d)
