Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.

Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás

Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás.

Afiliação

Holguín-Gallego FJ; Institute of Chemistry, National Autonomous University of Mexico, Circuito Exterior, Ciudad Universitaria, Delegación Coyoacán C.P. 04510, Mexico City, Mexico.
Chávez-Calvillo R; School of Chemistry, National Autonomous University of Mexico, Circuito Exterior, Ciudad Universitaria, Delegación Coyoacán C.P. 04510, Mexico City, Mexico.
García-Revilla M; Department of Chemistry, Division of Natural and Exact Sciences, University of Guanajuato, C.P. 36050, Guanajuato, Guanajuato, Mexico.
Francisco E; Department of Physical and Analytical Chemistry, University of Oviedo, Julián Clavería 8, Oviedo, Spain.
Pendás ÁM; Department of Physical and Analytical Chemistry, University of Oviedo, Julián Clavería 8, Oviedo, Spain.
Rocha-Rinza T; Institute of Chemistry, National Autonomous University of Mexico, Circuito Exterior, Ciudad Universitaria, Delegación Coyoacán C.P. 04510, Mexico City, Mexico.

J Comput Chem ; 37(19): 1753-65, 2016 07 15.

Article em En | MEDLINE | ID: mdl-27237084

Palavras-chave

Coupled-Cluster Lagrangian Densities; Dynamical Correlation; Interacting Quantum Atoms; Quantum Chemical Topology

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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: 2016 Tipo de documento: Article País de afiliação: México País de publicação: Estados Unidos

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