Abstract
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) ε i.KeywordsSpin DensityHubbard ModelVertex NumberBond AlternationNeutral SolitonThese keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.
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