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Autor:
Ryohei Kishi, Kizashi Yamaguchi, Tomoshige Nitta, Olivier Quinet, Masayoshi Nakano, Edith Botek, Benoıˆt Champagne
Publikováno v:
Chemical Physics Letters. 407(4-6):372-378
The Lowdin spin projection technique has been applied to the calculation of the polarizability ( α ) and second hyperpolarizability ( γ ) of polyacetylene (PA) chains bearing neutral soliton or charged polaron defects. For both types of systems, α