most citedEnergy benchmarks for water clusters and ice structures from an embedded many-body expansion

71 citations · 71 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2013★ 71 cited

Energy benchmarks for water clusters and ice structures from an embedded many-body expansion

M. J. Gillan, D. Alfe, P. J. Bygrave +2

We show how an embedded many-body expansion (EMBE) can be used to calculate accurate \emph{ab initio} energies of water clusters and ice structures using wavefunction-based methods…