Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations.

Xie, Xiaowei; Persson, Kristin A; Small, David W

Xie, Xiaowei; Persson, Kristin A; Small, David W.

Afiliación

Xie X; Department of Chemistry, University of California, Berkeley, California 94720, United States.
Persson KA; Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
Small DW; Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.

J Chem Theory Comput ; 16(7): 4256-4270, 2020 Jul 14.

Article en En | MEDLINE | ID: mdl-32502350

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2020 Tipo del documento: Article País de afiliación: Estados Unidos

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