## Theoretical aspects of conducting polymers: electronic structure and defect states |

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Page 8

... there is necessarily also a level at "ev- For an even-numbered chain with one

electron per site this corresponds to full electron- hole symmetry. In the case of an

... there is necessarily also a level at "ev- For an even-numbered chain with one

electron per site this corresponds to full electron- hole symmetry. In the case of an

**odd**-**numbered chain**(with free ends) there is necessarily a level at energy zero.Page 42

The conjugation lengths may be still large enough for preserving quasi-

continuous bands, but there will be a clear distinction between even- and

(or one ...

The conjugation lengths may be still large enough for preserving quasi-

continuous bands, but there will be a clear distinction between even- and

**odd**-**numbered chains**. An**odd**-**numbered chain**with strong double bonds at the ends(or one ...

Page 48

In order to determine the kink energy we consider first an even-numbered chain

where kinks and antikinks can be created in ... For an

single kink it follows that the cut-off A" has to be chosen such that one electron is

...

In order to determine the kink energy we consider first an even-numbered chain

where kinks and antikinks can be created in ... For an

**odd**-**numbered chain**with asingle kink it follows that the cut-off A" has to be chosen such that one electron is

...

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### Common terms and phrases

acoustic amplitude Ansatz antikink approximation associated Baeriswyl benzene bipolarons bond alternation bond length bond order bond-bond polarizability boundary conditions Brazovskii and Kirova calculations Campbell and Bishop charged kinks conducting polymers conduction band configuration conjugation continuum limit continuum model corresponds Coulomb coupling limit cut-off defect structures density described determined dimerization domain-walls doped dynamical matrix effects elastic energy electron correlation exciton Fermi force constant function gap equation ground Hamiltonian Hartree-Fock Hellmann-Feynman theorem Hiickel model impurity instability interchain coupling ir-electrons kink kink defect kink-antikink pair Kivelson levels Maki mean-field Mele and Rice midgap modes neighbouring neutral kinks obtained odd-numbered chain optical absorption optical gap order parameter phase diagram phonon polaron polyacetylene polypyrrole represents resonance integrals respect Schrieffer Section self-consistency condition self-consistency equation singly occupied soliton solution spectrum spin symmetry temperature total energy trans-polyacetylene valence band weak coupling weak-coupling limit yields