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 ] ...
Contents
Introduction | 1 |
Solitons Polarons and Bipolarons | 36 |
7 | 65 |
Copyright | |
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A.J. Heeger A.R. Bishop atoms Baeriswyl band band gap behaviour bipolarons bond alternation bond lengths calculations chain charge carriers charged solitons Chem chemical shift cis-(CH coefficient conducting polymers configuration conjugated polymers Coulomb interaction coupling Cryst D.K. Campbell defects dependence dimerization discussed dopant doping doping levels e-e interactions electron correlation electron spin electron-electron interactions electron-phonon ENDOR energy excitations exciton experimental finite polyenes frequency function G.L. Baker Hamiltonian Hartree-Fock hopping Hubbard model Hückel inter-chain kink lattice Lett linewidth magnetic Metals molecular neutral solitons nonlinear nuclear observed obtained one-dimensional optical absorption optical gap pair parameters peak Peierls Peierls-Hubbard model phonon Phys polarons polyacetylene polyenes polypyrrole polythiophene properties proton quantum quasi-particles Raman relaxation resonance Sect Solid State Commun soliton spectra spectrum spin density SSH model structure susceptibility symmetry Synth temperature theoretical theory trans-(CH trans-polyacetylene transition triplet valence bond values Vardeny