Self-Interaction Over-binds Water
Self-interaction errors in standard density functional approximations make hydrogen bonds in water too strong - and ice more dense than water. FLO-SIC calculations eliminate this over-binding and improve the description of the electronic structure. See Sharkas et al, PNAS 117, 11283 (2020), and Vargas et al, PCCP 22, 3789 (2020)
