Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods.

Mishra, Prakash; Yamamoto, Yoh; Johnson, J Karl; Jackson, Koblar A; Zope, Rajendra R; Baruah, Tunna

Mishra, Prakash; Yamamoto, Yoh; Johnson, J Karl; Jackson, Koblar A; Zope, Rajendra R; Baruah, Tunna.

Afiliación

Mishra P; Computational Science Program, University of Texas at El Paso, El Paso, Texas 79968, USA.
Yamamoto Y; Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA.
Johnson JK; Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, USA.
Jackson KA; Physics Department and Science of Advanced Materials Program, Central Michigan University, Mount Pleasant, Michigan 48859, USA.
Zope RR; Computational Science Program, University of Texas at El Paso, El Paso, Texas 79968, USA.
Baruah T; Computational Science Program, University of Texas at El Paso, El Paso, Texas 79968, USA.

J Chem Phys ; 156(1): 014306, 2022 Jan 07.

Article en En | MEDLINE | ID: mdl-34998352

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2022 Tipo del documento: Article País de afiliación: Estados Unidos

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