title: Benchmark study of the interaction energy for an (H2O)16 cluster: quantum Monte Carlo and complete basis set limit MP2 results.
abstract: The quantum Monte Carlo method is used to calculate the binding energy of an (H2O)16 cluster that has been the subject of several recent theoretical studies. The resulting interaction energy, -165.1(8) kcal/mol, is very close to our MP2 complete basis set limit interaction energy of -164.1 kcal/mol. Comparison of these results with those for the one-, two-, three-, and four-body interaction energies leads us to conclude that the five- and higher-body interactions are attractive, contributing over 2 kcal/mol to the net interaction energy of this (H2O)16 isomer.
authors.affiliation: Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.
authors.forename: Fang-Fang
authors.initials: FF
authors.lastname: Wang
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Deible
authors.forename: Kenneth D
authors.initials: KD
authors.lastname: Jordan