Use of propagators in the Hueckel model. V. Polarizabilities.

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概要

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• The ordinary perturbation theory is reformulated in terms of propagators. It is well known that, if the perturbing interaction has a single particle character, the additional energy up to the second order of the perturbation is expressed by bond orders and various polarizabilities. This is easily rewritten by use of propagators. In addition, under the tight-binding approximation, the propagators of linear and ring polyenes are expressed in simple analytical forms, which enable us to give also analytical expressions for bond orders and polarizabilities. A simple application is given to determine which is more stable, anthracene or phenanthrene.

• 公益社団法人 日本化学会の論文

著者

• Aono Shigeyuki

  Department Of Chemistry College Of Arts And Sciences Chiba University

• Nishikawa Kiyoshi

  Department Of Chemistry Faculty Of Science Kanazawa University

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