Ab initio calculations of linear and nonlinear polarizabilities in the side-chain direction on the conjugated polymers

Shin ichirou Hayashi, Satoshi Yabushita, Akira Imamura

研究成果: Article査読

11 被引用数 (Scopus)

抄録

Linear polarizabilities and third-order hyperpolarizabilities in the side-chain direction are calculated using the ab initio coupled Hartree-Fock method on polyacetylene and its derivatives. From these calculations, it is found that hyperpolarizabilities become larger by interactions between the main chain and the side chains; and, especially, the third-order hyperpolarizabilities are sensitively affected by the substituent group.

本文言語English
ページ(範囲)405-409
ページ数5
ジャーナルChemical Physics Letters
179
4
DOI
出版ステータスPublished - 1991 4月 26
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学一般
  • 物理化学および理論化学

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