Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations.

Ratcliff, Laura E; Dawson, William; Fisicaro, Giuseppe; Caliste, Damien; Mohr, Stephan; Degomme, Augustin; Videau, Brice; Cristiglio, Viviana; Stella, Martina; D'Alessandro, Marco; Goedecker, Stefan; Nakajima, Takahito; Deutsch, Thierry; Genovese, Luigi

Ratcliff, Laura E; Dawson, William; Fisicaro, Giuseppe; Caliste, Damien; Mohr, Stephan; Degomme, Augustin; Videau, Brice; Cristiglio, Viviana; Stella, Martina; D'Alessandro, Marco; Goedecker, Stefan; Nakajima, Takahito; Deutsch, Thierry; Genovese, Luigi.

Afiliación

Ratcliff LE; Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom.
Dawson W; RIKEN Center for Computational Science, Kobe, Japan.
Fisicaro G; Consiglio Nazionale delle Ricerche, Istituto per la Microelettronica e Microsistemi (CNR-IMM), Z.I. VIII Strada 5, I-95121 Catania, Italy.
Caliste D; Univ. Grenoble Alpes, CEA, IRIG-MEM-L_Sim, 38000 Grenoble, France.
Mohr S; Barcelona Supercomputing Center (BSC), Barcelona, Spain.
Degomme A; Univ. Grenoble Alpes, CEA, IRIG-MEM-L_Sim, 38000 Grenoble, France.
Videau B; Univ. Grenoble Alpes, CEA, IRIG-MEM-L_Sim, 38000 Grenoble, France.
Cristiglio V; Institut Laue Langevin, 38042 Grenoble, France.
Stella M; Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom.
D'Alessandro M; Istituto di Struttura della Materia-CNR (ISM-CNR), Via del Fosso del Cavaliere 100, 00133 Roma, Italy.
Goedecker S; Department of Physics, University of Basel, Basel, Switzerland.
Nakajima T; RIKEN Center for Computational Science, Kobe, Japan.
Deutsch T; Univ. Grenoble Alpes, CEA, IRIG-MEM-L_Sim, 38000 Grenoble, France.
Genovese L; Univ. Grenoble Alpes, CEA, IRIG-MEM-L_Sim, 38000 Grenoble, France.

J Chem Phys ; 152(19): 194110, 2020 May 21.

Article en En | MEDLINE | ID: mdl-33687268

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2020 Tipo del documento: Article País de afiliación: Reino Unido

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