On the non-integer number of particles in molecular system domains: treatment and description

The energy of an atomic or molecular system undergoing Coulomb interactions is well known at the integer numbers of its neutral or ionic configurations. Nevertheless, the physical domains (atoms in molecules) inside the whole molecular system possess a non-integer number of particles due to the elec...

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Detalles Bibliográficos
Autor principal:	Bochicchio, R.C.
Formato:	JOUR
Materias:	Density matrix Descriptors Electronic structure Grand-canonical ensemble
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_1432881X_v134_n11_p_Bochicchio
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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