Ground and excited state similarity studies by means of Fukui and dual-descriptor matrices

This Letter reports a quantitative study of the similarity between the Fukui matrices corresponding to the ground state and those of the first excited state of a molecular system, as well as between the dual-descriptor matrices of those states. The formulation of the Fukui and dual-descriptor matric...

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Detalles Bibliográficos
Autor principal:	Oña, Ofelia Beatriz
Publicado:	2012
Materias:	Basis sets Electronic correlation First excited state Molecular systems Quantitative study Similarity indices Ground state Excited states
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00092614_v549_n_p103_Alcoba http://hdl.handle.net/20.500.12110/paper_00092614_v549_n_p103_Alcoba
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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