Conjugated Conducting PolymersHelmut G. Kiess, Dionys Baeriswyl |
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Page 61
... methods can in general be applied only to systems of fairly limited size . In view of this limitation , it is natural to ask whether independent - electron methods can provide accurate approximations to the results of the full ...
... methods can in general be applied only to systems of fairly limited size . In view of this limitation , it is natural to ask whether independent - electron methods can provide accurate approximations to the results of the full ...
Page 64
... Methods Variational approaches form another important general category of approxi- mate methods for incorporating correlation effects . If carried out strictly and without additional approximations , these methods can provide rigorous ...
... Methods Variational approaches form another important general category of approxi- mate methods for incorporating correlation effects . If carried out strictly and without additional approximations , these methods can provide rigorous ...
Page 66
... methods have been used [ 2.207-212 ] to investigate variants of the Peierls- Hubbard / PPP models . Without going into too much technical detail one can distinguish three classes of methods : ( 1 ) Projector methods [ 2.209-211,213 ] ...
... methods have been used [ 2.207-212 ] to investigate variants of the Peierls- Hubbard / PPP models . Without going into too much technical detail one can distinguish three classes of methods : ( 1 ) Projector methods [ 2.209-211,213 ] ...
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A.J. Heeger atoms Baeriswyl band band gap behaviour bipolarons bond alternation bond lengths calculations chain charged solitons Chem chemical shift coefficient conducting polymers configuration conjugated polymers correlation Coulomb interactions coupling Cryst D.K. Campbell defects dependence dimerization discussed dopant doping doping levels e-e interactions effects electron spin electron-electron interactions electron-phonon ENDOR energy excitations exciton experimental Fermi finite polyenes frequency function ground Hamiltonian Hartree-Fock hopping Hubbard model Hückel independent-electron inter-chain kink lattice Lett linewidth magnetic metallic molecular neutral solitons nonlinear nonlinear optical nuclear observed obtained one-dimensional optical absorption optical gap pair 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 susceptibility symmetry Synth temperature theoretical theory trans trans-(CH trans-polyacetylene transition V₁ valence bond values Vardeny