Publication - Journal Article Benchmark Electronic Structure Calculations for H₃O⁺(H₂O)_n, n = 0–5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction

Journal Article

Journal of Chemical Theory and Computation, vol. 14, iss. 9, pp. 4553-4566, 2018

Authors

Joseph P. Heindel, Qi Yu, Joel M. Bowman, Sotiris S. Xantheas

Language English

Publication - Journal Article Benchmark Electronic Structure Calculations for H3O+(H2O)n, n = 0–5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction