Diffusion Monte Carlo interaction energies for the full S66 dataset reveal systematic deviations from CCSD(T) that correlate with the ratio of electrostatic to dispersion contributions.
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Systematic discrepancies between reference methods for non-covalent interactions within the S66 dataset
Diffusion Monte Carlo interaction energies for the full S66 dataset reveal systematic deviations from CCSD(T) that correlate with the ratio of electrostatic to dispersion contributions.