Table 2 XMCQDPT2/EFP calculated vertical excitation energies (VEEs) and oscillator strengths (f) of p-HBDI⁻ in aqueous solution. The lowest-lying doublet states, D₀ and D₁, are calculated for a system embedded in a water sphere with R = 40 Å, using the hybrid DFT/EFP/MD equilibrium geometry shown in the Supplementary Methods, at the XMCQDPT2/EFP level of theory. The higher-lying vertical detachment energies (VDEs) are estimated with respect to D₀ at the minimum energy geometry of the anion.

From: Liquid-microjet photoelectron spectroscopy of the green fluorescent protein chromophore