Topological population analysis from higher order densities. I. Hartree-Fock level

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In this work we present the formulation of a topological population analysis derived from reduced density matrices of arbitrary order. We describe the construction of a mathematical framework which is suitable for handling any number of physical atomic regions. The procedure provides appropriate too...

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Detalles Bibliográficos
Autores principales:	Bochicchio, R., Lain, L., Torre, A., Ponec, R.
Formato:	JOUR
Materias:	Multicenter bonds Population analysis
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_02599791_v28_n1-3_p83_Bochicchio
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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