Note: Energy convexity and density matrices in molecular systems

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A novel appropriate definition for the density matrix for an interacting Coulombic driven atomic or molecular system with non-integer number of particles is given. Our approach leads to a direct derivation of the proposal reported by Perdew [Phys. Rev. Lett. 49, 1691 (1982)]10.1103/PhysRevLett.49.16...

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Detalles Bibliográficos
Autores principales:	Bochicchio, R.C., Rial, D.
Formato:	JOUR
Materias:	Density matrix Molecular systems Quantum theory Matrix algebra
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00219606_v137_n22_p_Bochicchio
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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