Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 Theory.

Urban, Lars; Laqua, Henryk; Ochsenfeld, Christian

Urban, Lars; Laqua, Henryk; Ochsenfeld, Christian.

Afiliación

Urban L; Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), D-81377 Munich, Germany.
Laqua H; Max Planck Institute for Solid State Research, D-70569 Stuttgart, Germany.
Ochsenfeld C; Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), D-81377 Munich, Germany.

J Chem Theory Comput ; 18(7): 4218-4228, 2022 Jul 12.

Article en En | MEDLINE | ID: mdl-35674337

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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: Alemania Pais de publicación: Estados Unidos

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