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BasisOpt: A Python package for quantum chemistry basis set optimization. (2023)

First Author: Shaw RA

Attributed to: BasisFlow: Machine learning for tailor made quantum chemistry funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0157878

PubMed Identifier: 37489650

Publication URI: http://europepmc.org/abstract/MED/37489650

Type: Journal Article/Review

Volume: 159

Parent Publication: The Journal of chemical physics

Issue: 4

ISSN: 0021-9606