An extensive assessment of the performance of pairwise and many-body interaction potentials in reproducing ab initio benchmark binding energies for water clusters n = 2–25

Abstract

We assess the performance of 7 pairwise additive and 8 families of many-body potentials in reproducing high-level ab initio benchmark values for the binding energy and the many-body expansion (MBE) of water clusters n = 2–11, 16–17, 20, 25.