Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory.

Mayer, István; Pápai, Imre; Bakó, Imre; Nagy, Ágnes

Mayer, István; Pápai, Imre; Bakó, Imre; Nagy, Ágnes.

Afiliación

Mayer I; Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences , Budapest H-1117, Hungary.
Pápai I; Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences , Budapest H-1117, Hungary.
Bakó I; Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences , Budapest H-1117, Hungary.
Nagy Á; Department of Theoretical Physics, Debrecen University , Debrecen H-4010, Hungary.

J Chem Theory Comput ; 13(9): 3961-3963, 2017 Sep 12.

Article en En | MEDLINE | ID: mdl-28834682

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2017 Tipo del documento: Article País de afiliación: Hungria Pais de publicación: Estados Unidos

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