A community benchmark of eleven fixed-node diffusion Monte Carlo codes shows that modern pseudopotential localization schemes give reproducible water-methane dimer interaction energies, while the old locality approximation does not.
Size-consistent variational ap- proaches to nonlocal pseudopotentials: Standard and lattice regularized diffu- sion Monte Carlo methods revisited,
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Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
A community benchmark of eleven fixed-node diffusion Monte Carlo codes shows that modern pseudopotential localization schemes give reproducible water-methane dimer interaction energies, while the old locality approximation does not.