Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computations.

Rappoport, Dmitrij; Bekoe, Samuel; Mohanam, Luke Nambi; Le, Scott; George, Naje'; Shen, Ziyue; Furche, Filipp

Rappoport, Dmitrij; Bekoe, Samuel; Mohanam, Luke Nambi; Le, Scott; George, Naje'; Shen, Ziyue; Furche, Filipp.

Afiliação

Rappoport D; Department of Chemistry, University of California Irvine, Irvine, California, USA.
Bekoe S; Department of Chemistry, University of California Irvine, Irvine, California, USA.
Mohanam LN; Department of Chemistry, University of California Irvine, Irvine, California, USA.
Le S; Department of Electrical and Computer Engineering, Boston University, Boston, Massachusetts, USA.
George N; Department of Chemistry, University of California Irvine, Irvine, California, USA.
Shen Z; Department of Chemistry, University of California Irvine, Irvine, California, USA.
Furche F; Department of Chemistry, University of California Irvine, Irvine, California, USA.

J Comput Chem ; 44(11): 1105-1118, 2023 Apr 30.

Article em En | MEDLINE | ID: mdl-36636945

Palavras-chave

Krylov space methods; TDDFT; TDHF; iterative algorithms; open-source software

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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