Computerized implementation of higher-order electron-correlation methods and their linear-scaling divide-and-conquer extensions.

Nakano, Masahiko; Yoshikawa, Takeshi; Hirata, So; Seino, Junji; Nakai, Hiromi

Nakano, Masahiko; Yoshikawa, Takeshi; Hirata, So; Seino, Junji; Nakai, Hiromi.

Afiliação

Nakano M; Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, Tokyo, 169-8555, Japan.
Yoshikawa T; Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, Tokyo, 169-8555, Japan.
Hirata S; Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois, 61801.
Seino J; CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama, 332-0012, Japan.
Nakai H; Research Institute for Science and Engineering, Waseda University, Tokyo, 169-8555, Japan.

J Comput Chem ; 38(29): 2520-2527, 2017 11 05.

Article em En | MEDLINE | ID: mdl-28795766

Palavras-chave

divide-and-conquer method; electron-correlation theory; linear-scaling; tensor contraction engine

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Ano de publicação: 2017 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Comput Chem Ano de publicação: 2017 Tipo de documento: Article