Enhancing the accuracy of density functional tight binding models through ChIMES many-body interaction potentials.

Goldman, Nir; Fried, Laurence E; Lindsey, Rebecca K; Pham, C Huy; Dettori, R

Goldman, Nir; Fried, Laurence E; Lindsey, Rebecca K; Pham, C Huy; Dettori, R.

Afiliación

Goldman N; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
Fried LE; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
Lindsey RK; Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA.
Pham CH; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
Dettori R; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, USA.

J Chem Phys ; 158(14): 144112, 2023 Apr 14.

Article en En | MEDLINE | ID: mdl-37061479

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Chem Phys Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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