Nodal surface optimization via AGP ansatz in DMC improves accuracy for hydrogen-bonded non-covalent interactions while leaving dispersion-dominated systems largely unchanged compared to CCSD(T).
K.; Bajdich, M.; Mitas, L
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Assessing the impact of nodal surface optimization in fixed-node diffusion Monte Carlo on non-covalent interactions
Nodal surface optimization via AGP ansatz in DMC improves accuracy for hydrogen-bonded non-covalent interactions while leaving dispersion-dominated systems largely unchanged compared to CCSD(T).