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

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Page 19

Inserting the Ansatz r = r + (-l)n y into the ir-electron Hamiltonian, no Eq.(l), and

using the parametrization (15) the electronic

Inserting the Ansatz r = r + (-l)n y into the ir-electron Hamiltonian, no Eq.(l), and

using the parametrization (15) the electronic

**spectrum**is - 19 -Page 20

Eq.(l), and using the parametrization (15) the electronic

ek = sign e° | (2tQ) 2cos2ka + A2sin2kaJ% where 2ay. It exhibits a gap 2AQat the

two Fermi points, the size of which is determined by minimalizing the total ...

Eq.(l), and using the parametrization (15) the electronic

**spectrum**is obtained asek = sign e° | (2tQ) 2cos2ka + A2sin2kaJ% where 2ay. It exhibits a gap 2AQat the

two Fermi points, the size of which is determined by minimalizing the total ...

Page 39

In order to get the

if written in terms of internal coordinates, depends on the geometrical structure of

the polymer. For trans <CH)x we use the continuum limit of the SSH ...

In order to get the

**spectrum**we have to add the kinetic energy of the lattice which,if written in terms of internal coordinates, depends on the geometrical structure of

the polymer. For trans <CH)x we use the continuum limit of the SSH ...

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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