A through space/bond interaction analysis of the shape of the band structure of polyacetylene.
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概要
- 論文の詳細を見る
The band structure of all-<I>trans</I>-polyacetylene is examined by using through space/bond interaction analysis. It is found that the cross-term in the perturbation expansion between two kinds of interactions governs the band shape near the gap: One kind is the interaction within the backbone, and the other is that between the backbone and the side chain. The relationship between the band structure and the symmetry of the interacting orbitals is also discussed.
- 公益社団法人 日本化学会の論文
著者
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Aoki Yuriko
Department Of Chemistry Graduate School Of Science Hiroshima University
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Imamura Akira
Department of Chemistry, Faculty of Science, Hiroshima University
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Sasaki Takae
Department of Chemistry, Faculty of Science, Hiroshima University
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