A study of the relationships between unpaired electron density, spin-density and cumulant matrices

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This work describes the derivation of simple relationships between the density matrix of effectively unpaired electrons and the spin-density matrix in N-electron systems. The link between both devices turns out to be the one-electron matrix arising from the diagonal contraction of the cumulant matri...

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Detalles Bibliográficos
Autores principales:	Lain, L., Torre, A., Alcoba, D.R., Bochicchio, R.C.
Formato:	JOUR
Materias:	Cumulant matrices Electron correlation Reduced density matrices
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_1432881X_v128_n4_p405_Lain
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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