The Solvation Entropy of Different Simulation Models of the Hydrated Electron

density functional theory (DFT) with a hybrid GGA functional. We find that cavity-forming one-electron models with relatively soft cavities correctly predict the sign of the hydrated electron's solvation entropy but underestimate its magnitude. Both a noncavity one-electron model and hard cavity-forming DFT yield an incorrect sign for the solvation entropy. The calculated solvation entropies of each model are consistent with the structure and dynamic behavior of the first-shell waters molecules.