Figure 3
Comparison of the experimental photoelectron spectra of glycine in the outer valence space with the simulated spectra using the OVGF/TZVP model (bottom, Δ∊ = 0.20 eV) and the SAOP/et-pVQZ model (top, Δ∊ = −0.42 eV). The simulated spectra are convoluted with a FWHM of 0.70 eV. |