Linear Scaling Pseudo Fermi-Operator Expansion for Fractional Occupation.

Mniszewski, Susan M; Perriot, Romain; Rubensson, Emanuel H; Negre, Christian F A; Cawkwell, Marc J; Niklasson, Anders M N

Mniszewski, Susan M; Perriot, Romain; Rubensson, Emanuel H; Negre, Christian F A; Cawkwell, Marc J; Niklasson, Anders M N.

Afiliação

Mniszewski SM; Computer, Computational, and Statistical Sciences Division , Los Alamos National Laboratory , Los Alamos , New Mexico 87545 , United States.
Perriot R; Theoretical Division , Los Alamos National Laboratory , Los Alamos , New Mexico 87545 , United States.
Rubensson EH; Division of Scientific Computing, Department of Information Technology , Uppsala University , Box 337 , SE-751 05 Uppsala , Sweden.
Negre CFA; Theoretical Division , Los Alamos National Laboratory , Los Alamos , New Mexico 87545 , United States.
Cawkwell MJ; Theoretical Division , Los Alamos National Laboratory , Los Alamos , New Mexico 87545 , United States.
Niklasson AMN; Theoretical Division , Los Alamos National Laboratory , Los Alamos , New Mexico 87545 , United States.

J Chem Theory Comput ; 15(1): 190-200, 2019 Jan 08.

Article em En | MEDLINE | ID: mdl-30452247

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Aspecto: Determinantes_sociais_saude Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos

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