Conjugated conducting polymers |
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Page 15
In a second step this Hamiltonian is used for calculating the ground-state
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-state
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 ...
Page 63
Here the large (2*-fold) spin degeneracy renders the calculations non-trivial .[
2.136, 148]. Although calculations performed in this limit are not expected to be
immediately relevant to 7t-conjugated polymers, they are nonetheless very
important ...
Here the large (2*-fold) spin degeneracy renders the calculations non-trivial .[
2.136, 148]. Although calculations performed in this limit are not expected to be
immediately relevant to 7t-conjugated polymers, they are nonetheless very
important ...
Page 251
Similar negative spin densities appear also in Hartree-Fock calculations [5.126],
INDO calculations [5.127] and calculations based on the density functional
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 functional
method [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 | |
6 other sections not shown
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Common terms and phrases
A.J. Heeger AsF5 atoms 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 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 finite polyenes frequency function Hamiltonian Hartree-Fock Heeger Hiickel hopping Hubbard model hyperfine interactions inter-chain kink lattice Lett linewidth magnetic Metals molecular neutral solitons nonlinear 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 Solid State Commun soliton spectra spectrum spin density SSH model structure symmetry Synth temperature theoretical theory trans-(CH)x transition triplet valence bond values Vardeny
Bibliographic information
| Title | Conjugated conducting polymers Volume 102 of Springer series in solid-state sciences Volume 102 of Solid-State Sciences Series Volume 102 of Lecture Notes in Artificial Intelligence |
| Author | Helmut G. Kiess |
| Editors | Helmut G. Kiess, Dionys Baeriswyl |
| Contributors | Helmut G. Kiess, Dionys Baeriswyl |
| Edition | illustrated |
| Publisher | Springer-Verlag, 1992 |
| Original from | the University of Michigan |
| Digitized | 26 Nov 2007 |
| ISBN | 0387535942, 9780387535944 |
| Length | 310 pages |
| Subjects | › › Polymers Polymers - Electric properties Polymers - Optical properties Polymers/ Electric properties Polymers/ Optical properties Science / Chemistry / General Science / Magnetism Science / Physics Science / Solid State Physics Technology & Engineering / Textiles & Polymers |
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