Figure 9.
Errors, ΔE = EnBmodel – EnB, relative to the CCSD(T)-F12/VTZ-F12 reference values of ref (217) for the individual terms (nB) of the many-body expansion of the interaction energy calculated using many-body PEFs and DFT models for the (a–c) prism, (d–f) cage, and (g–i) cyclic chair hexamer isomers. The first column (a, d, and g) reports the results obtained with the SCME/GAP, WHBB, and MB-pol many-body potentials. The second (b, e, and h) and third (c, f, and i) columns report the results obtained with the same seven DFT models of Figure 8 without and with the D3 dispersion correction, respectively.