A self-consistent coulomb bath model using density fitting.

Chen, Xin; Qu, Zexing; Suo, Bingbing; Gao, Jiali

Chen, Xin; Qu, Zexing; Suo, Bingbing; Gao, Jiali.

Afiliação

Chen X; Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, China.
Qu Z; Shenzhen Bay Laboratory, Shenzhen, China.
Suo B; Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, China.
Gao J; Shaanxi Key Laboratory for Theoretical Physics Frontiers, Institute of Modern Physics, Northwest University, Xi'an, Shaanxi, China.

J Comput Chem ; 41(18): 1698-1708, 2020 Jul 05.

Article em En | MEDLINE | ID: mdl-32369627

Palavras-chave

coulomb bath mode; density fitting; fragment-based method

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Qualitative_research Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: China

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