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Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions

Kousuke Nakano, Benjamin X. Shi, Dario Alfè, Andrea Zen.

Journal of Chemical Theory and Computation 21 [9] 4426-4434. 2025.

https://doi.org/10.1021/acs.jctc.4c01631

Open Access American Chemical Society (ACS) (Publisher) Materials Data Repository (MDR)

NIMS author(s)

NAKANO, Kosuke

Fulltext and dataset(s) on Materials Data Repository (MDR)

MDRavailable Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions

Created at: 2025-05-20 03:06:44 +0900 Updated at: 2026-05-03 09:01:24 +0900

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