DOE OSTI · 3675755
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions
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Nakano, Kousuke (ORCID:0000000177564355), Shi, Benjamin (ORCID:0000000332720996), Alfè, Dario (ORCID:0000000297418678), Zen, Andrea (ORCID:0000000276484078). 2025-04-30. Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions. https://doi.org/10.1021/acs.jctc.4c01631
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