## Conjugated conducting polymers |

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Page 15

In a second step this Hamiltonian is used for

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 63

Here the large (2w-fold) spin degeneracy renders the

2.136, 148]. Although

immediately relevant to ^-conjugated polymers, they are nonetheless very

important ...

Here the large (2w-fold) spin degeneracy renders the

**calculations**non-trivial .[2.136, 148]. Although

**calculations**performed in this limit are not expected to beimmediately relevant to ^-conjugated polymers, they are nonetheless very

important ...

Page 251

Similar negative spin densities appear also in Hartree-Fock

INDO

method [5.128]. A detailed discussion of electron-electron correlation is given in

Chap.

Similar negative spin densities appear also in Hartree-Fock

**calculations**[5.126],INDO

**calculations**[5.127] and**calculations**based on the density functionalmethod [5.128]. A detailed discussion of electron-electron correlation is given in

Chap.

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### Contents

Introduction | 1 |

An Overview of the Theory of Conjugated Polymers | 7 |

References | 114 |

Copyright | |

5 other sections not shown

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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