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

✍ Scribed by Shin-ichirou Hayashi; Satoshi Yabushita; Akira Imamura

Publisher: Elsevier Science
Year: 1991
Tongue: English
Weight: 375 KB
Volume: 179
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(91)85174-u

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✦ Synopsis

Linear polarizabilities and third-order hyperpoiarizabilities 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.

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