Theory of defects in conducting polymers. II. Application to polyacetylene

For pt.I see ibid., vol.3, p.3879 (1991). The authors exploit the approach of the previous paper, based on self-consistent quantum-chemical molecular dynamics, to investigate the energetics and dynamics of excitations in conducting polymers. The predictions include the formation energies of solitons and polarons, the phenomenon of doping by alkali atoms, luminescence quenching in cis-polyacetylene, the soliton mobility in trans-polyacetylene and the non-existence of breathers in cis-polyacetylene.

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