Quantum statistical nature of the chemical bond. Part II. MC-SCF/CI model

The statistical nature of the chemical bond has been described and applied to the SCF closed shell model for molecules. Here we revise this theory for the MC-SCF/CI model for molecular systems and develop the corresponding expressions for atomic and bonding populations within that model. We derive t...

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Detalles Bibliográficos
Autor principal:	Bochicchio, R.C.
Formato:	JOUR
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_01661280_v228_nC_p227_Bochicchio
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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