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Electronic states of an infinite polyene under local perturbations

โœ Scribed by Kazuyoshi Tanaka; Tokio Yamabe; Kenichi Fukui; Hiroshi Kato

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
325 KB
Volume
48
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

A perturbation theory method is developed in the tight-binding LCAO MO treatment of a one-dimensional polymer under local perturbation with the aid of the Wannier function. As the first step, electronic states of an infinite polyene under a few of significant cases of perturbation are formulated in the scheme of the Hiickel MO approach, giving the changes in total energies, electron densities, and bond orders of the perturbed systems.

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