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Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions. (2025)

First Author: Nakano K
Attributed to:  Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.4c01631

PubMed Identifier: 40306900

Publication URI: http://europepmc.org/abstract/MED/40306900

Type: Journal Article/Review

Volume: 21

Parent Publication: Journal of chemical theory and computation

Issue: 9

ISSN: 1549-9618