有機非線形光学材料の分子設計 (「インテリジェント有機分子の合成と機能」特集号) -- (有機非線形光学材料--分子設計と合成)

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概要

• 論文の詳細を見る

• In order to design organic nonlinear optical materials, several of theoretical calculations are necessary. Within the oriented gas model approximation, nonlinear susceptibilities of organic crystals can be calculated from hyperpolarizabilities of the molecule and the crystal structure. Molecular hyperpolarizabilities can be calculated very precisely by a molecular orbital method. <BR>Theoretical calculations of hyperpolarizabilities of polymers, which are important as third-order nonlinear materials, were done considering their exciton states although there remained several problems to be solved. <BR>The intermolecular interaction effects on hyperpolarizabilities were analysed by super molecule CPHF calculations of <I>ab initio</I> MO method.

• 社団法人 有機合成化学協会の論文

著者

• 伊藤 雄三

  (株) 日立製作所日立研究所

関連論文

• 有機非線形光学材料の分子設計 (「インテリジェント有機分子の合成と機能」特集号) -- (有機非線形光学材料--分子設計と合成)

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