TY - JOUR
T1 - Ab initio calculations of linear and nonlinear polarizabilities in the side-chain direction on the conjugated polymers
AU - Hayashi, Shin ichirou
AU - Yabushita, Satoshi
AU - Imamura, Akira
PY - 1991/4/26
Y1 - 1991/4/26
N2 - 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.
AB - 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.
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U2 - 10.1016/0009-2614(91)85174-U
DO - 10.1016/0009-2614(91)85174-U
M3 - Article
AN - SCOPUS:0040938513
SN - 0009-2614
VL - 179
SP - 405
EP - 409
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4
ER -