Three-body analytical potential for interacting helium atoms

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Abstract
Large basis set ab initio calculations have been carried out for a dense grid of points on the He3 potential energy surface. Three‐body contributions were extracted at every point, and a number of concise functional representations for the three‐body potential surface were then examined. Three‐body multipolar dispersion terms and other radial and angular terms were used in the representations, and an assessment of relative importance of the different terms is presented. Combined with a two‐body He–He potential, the results of this work should offer a high quality interaction potential for simulations of aggregated helium.