## Conjugated conducting polymers |

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Page 15

In a second step this

configuration of the nuclei and the (adiabatic) dynamics around this ground state.

The Born-Oppenheimer approximation is justified if the electronic motion is much

more ...

In a second step this

**Hamiltonian**is used for calculating the ground-stateconfiguration of the nuclei and the (adiabatic) dynamics around this ground state.

The Born-Oppenheimer approximation is justified if the electronic motion is much

more ...

Page 19

of the interactions in the model

values of the parameters in these models is nearly as difficult as solving the full

ab initio problem. There are two approaches that one can adopt to circumvent

this ...

of the interactions in the model

**Hamiltonians**fairly reliably, derivation of thevalues of the parameters in these models is nearly as difficult as solving the full

ab initio problem. There are two approaches that one can adopt to circumvent

this ...

Page 56

... the one-dimensional Hubbard

independent terms, a tight-binding

sites and a Heisenberg spin

integral J ...

... the one-dimensional Hubbard

**Hamiltonian**decomposes into two mutuallyindependent terms, a tight-binding

**Hamiltonian**for N spinless fermions on iVasites and a Heisenberg spin

**Hamiltonian**with a density-dependent exchangeintegral J ...

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### Contents

Introduction | 1 |

An Overview of the Theory of Conjugated Polymers | 7 |

References | 114 |

Copyright | |

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### Common terms and phrases

A.J. Heeger atoms Baeriswyl band band gap behaviour bipolarons bond alternation bond lengths calculations CH)x chain charged solitons Chem chemical shift coefficient conducting polymers configuration conjugated polymers correlation Coulomb interactions coupling Cryst D.K. Campbell decreases defects dependence dimerization discussed dopant dopant concentration doping doping levels e-e interactions effects electron spin electron-electron interactions electron-phonon ENDOR energy excitations exciton experimental Fermi finite polyenes frequency function Hamiltonian Hartree-Fock Heeger Hiickel hopping Hubbard model hyperfine interactions inter-chain kink lattice Lett linewidth magnetic metallic molecular neutral solitons nonlinear nonlinear optical nuclear observed obtained one-dimensional optical absorption optical gap parameter peak Peierls Peierls-Hubbard model phonon Phys polarons polyacetylene polyenes polypyrrole polythiophene properties proton quantum quasi-particles Raman relaxation resonance Sect shown in Fig soliton spectra spectrum spin density SSH model structure symmetry Synth temperature theoretical theory trans trans-(CH)x transition triplet valence bond values Vardeny