Figure 2

(a) Ground state computed photoelectron spectrum of cytosine in comparison to experimental data recorded at 80eV photon energy⁶⁵. The energy bar displays the binding energy of the electron. Compared to the experiment, the calculated binding energy has a constant offset of ≈ −0.8eV. (b–e) Individual tautomer contributions to the photoelectron spectra, with their mixing weights ω. All spectra have been normalized to a maximum height of 1.0.