Localization method for semiempirical molecular orbitals based on the boys-foster criterion

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A localization method based on the Boys-Foster criterion is presented which allows the origin-choice dependence that may appear in Boys criterion to be overcome when semiempirical molecular orbitals are concerned. The method allows an optimum origin of the coordinates and a unique set of localized m...

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Detalles Bibliográficos
Autores principales:	Cavasotto, C.N., Giribet, C.G., Contreras, R.H.
Formato:	JOUR
Lenguaje:	English
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_01661280_v210_nC_p107_Cavasotto
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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