Energy decompositions according to physical space partitioning schemes: Treatments of the density cumulant

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This article is a continuation of our previous paper on schemes of energy decompositions of molecular systems in the real space [D. R. Alcoba, J. Chem. Phys. 122, 074102 (2005)] now using correlated state functions. We study, according to physical arguments, the appropriate management of the density...

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Detalles Bibliográficos
Autores principales: Alcoba, D.R., Torre, A., Lain, L., Bochicchio, R.C.
Formato: Artículo publishedVersion
Lenguaje:Inglés
Publicado: 2007
Materias:
Functions
Fuzzy rules
Correlated state functions
Energy decompositions
Molecular systems
Reduced density matrix
Space partitioning
Molecular physics
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v127_n10_p_Alcoba
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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