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Erschienen in:
1989 | OriginalPaper | Buchkapitel
Electronic Structure and Spectra of Polyenes
verfasst von : S. Ramasesha
Erschienen in: Aspects of Many-Body Effects in Molecules and Extended Systems
Verlag: Springer Berlin Heidelberg
Enthalten in: Professional Book Archive
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Huckel model (1) in quantum chemistry has been one of the earliest models proposed for the electronic structure studies of π — systems. Because of the ease of solving these models for comparatively large π- systems, these models have found a great deal of acceptance among chemists in general and organic chemists in particular. The Huckel model is parametrized by two types of parameters, the resonance integral (also called the transfer or hopping integral) tij and the orbital energy (also called site energy) εi.