Artículo
Structure of Fukui matrices
Fecha de publicación:
11/2017
Editorial:
John Wiley & Sons Inc
Revista:
International Journal of Quantum Chemistry
ISSN:
0020-7608
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Fukui matrices considered as the generalization of the concept of Fukui densities are decomposed into their pairing and unpairing contributions within the theory of the reduced density matrices. Their algebraic structure become clear from this decomposition providing their relationships with the spin density matrices and the irreducible part of the second-order reduced density matrix cumulant, that is, the explicit contributions of the many-body or correlation effects. The uncorrelated state function approximation is a simple way to emphasize the physical meaning of these matrices and represents the appropriate starting point for the treatment of a quasi-analytical model to denote the occurrence of correlation effects.
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Articulos(IFIBA)
Articulos de INST.DE FISICA DE BUENOS AIRES
Articulos de INST.DE FISICA DE BUENOS AIRES
Citación
Bochicchio, Roberto Carlos; Structure of Fukui matrices; John Wiley & Sons Inc; International Journal of Quantum Chemistry; 117; 22; 11-2017; 1-6
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