Abstract
Abstract The effects of interchain interactions and chain-dopant interactions in model systems of trans-polyacetylene are studied in detail. We find that a singly charged polaron is transverse, i.e., it is delocalized over more than one chain. In lightly doped trans-polyacetylene, the electronic wavefunctions associated with solitons are localized to a single soliton center only. At a critical doping concentration, however, the wavefunctions of the solitons become delocalized over several soliton centra as well as over several chains.
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