Phonons intrans-polyacetylene: delocalized bond—bond interactions |
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| Authors: | L Piseri R Tubino G Dellepiane |
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| Institution: | Istituto di Chimica delle Macromolecole del CNR, Via Bassini, 15/A, 20133 Milano, Italy;Dipartimento di Chimica, Universita´, Via Elce di Sotto, 8, Perugia, Italy |
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| Abstract: | Delocalized force constants arising from extended π-electronic states are derived for an infinitetrans-polyene chain in the internal coordinate space. This formalism is particularly suitable for the extension of Wilson's GF technique to the calculation of the phonon dispersion curves in semi-conducting polymer chains. |
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