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General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian

Crossref DOI link: https://doi.org/10.1038/s41467-023-38468-8

Published Online: 2023-05-18

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Gong, Xiaoxun https://orcid.org/0000-0002-6459-4288
Li, He https://orcid.org/0000-0002-5967-5251
Zou, Nianlong

Xu, Runzhang

Duan, Wenhui https://orcid.org/0000-0001-9685-2547
Xu, Yong https://orcid.org/0000-0002-4844-2460
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Text and Data Mining valid from 2023-05-18

Version of Record valid from 2023-05-18
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Article History

Received: 1 November 2022

Accepted: 27 April 2023

First Online: 18 May 2023

Competing interests

: The authors declare no competing interests.