Fig. 4: Many-body and interaction energies for the isomers of the water hexamer.

a 2-body (2B), b 3-body (3B), c 4-body (4B) and d total interaction energies of the first eight isomers of the water hexamer calculated using SCAN, DC-SCAN, MB-SCAN, MB-SCAN(DC), along with the CCSD(T)/CBS reference values of ref. ⁷⁸.