Forces from Stochastic Density Functional Theory under Nonorthogonal Atom-Centered Basis Sets.

Shpiro, Ben; Fabian, Marcel David; Rabani, Eran; Baer, Roi

Shpiro, Ben; Fabian, Marcel David; Rabani, Eran; Baer, Roi.

Afiliación

Shpiro B; Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel.
Fabian MD; Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 9190401, Israel.
Rabani E; Department of Chemistry, University of California, Berkeley, California 94720, United States.
Baer R; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.

J Chem Theory Comput ; 18(3): 1458-1466, 2022 Mar 08.

Article en En | MEDLINE | ID: mdl-35099187

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2022 Tipo del documento: Article País de afiliación: Israel Pais de publicación: Estados Unidos

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