Large basis set ab initio calculations have been carried out for a dense grid of points on the He, 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.
Copyright © 1994, AIP Publishing. This article first appeared in The Journal of Chemical Physics: 101:9 (1994), 7618-7624.
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Parish, Carol A., and Clifford E. Dykstra. "Three-body Analytical Potential for Interacting Helium Atoms." The Journal of Chemical Physics 101, no. 9 (November 1, 1994): 7618-624. doi:10.1063/1.468255.