Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximations

relative to bulk water, but does result in a smaller reduction of the polarizability and thus a less structured Cl-O RDF, which agrees better with experiment. Special consideration is therefore warranted in assessing the impact of exchange on the energy, charge density, and the charge density response when designing and testing hybrid functionals for aqueous halide solvation.