With respect to liquid water in particular, our molecular dynamics simulations suggest a tetrahedral framework and the EA-TDDFT XAS calculations are in excellent agreement with experiment. The ionization potential of the core 1s orbital (Fig. ) is also within 0.5 eV of experimental photoelectron measurements. Our results therefore represent yet more evidence for the tetrahedral picture of liquid water. Interestingly, we find that EA-TDDFT also predicts a small shoulder feature at ∼ 544 eV that was previously identified using damped TDDFT. The same feature is amplified in the EA-CIS spectrum due to spectral compression, appearing as a fifth peak rather than a smaller shoulder. Although this feature is measurable in ice, the split post-edge peak in liquid water remains to be validated by experimental evi- For direct comparison, each spectrum was rigidly shifted such that the highest-intensity features overlap with the experimental spectrum.