Conjugated Conducting PolymersHelmut G. Kiess, Dionys Baeriswyl |
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Page 15
... calculations , which start from ( 2.3 ) and solve this many - body problem approxi- mately and ( 2 ) model calculations which replace ( 2.3 ) by a simpler , parametrized Hamiltonian , the properties of which can hopefully be obtained in ...
... calculations , which start from ( 2.3 ) and solve this many - body problem approxi- mately and ( 2 ) model calculations which replace ( 2.3 ) by a simpler , parametrized Hamiltonian , the properties of which can hopefully be obtained in ...
Page 63
... calculations performed in this limit are not expected to be immediately relevant to л - conjugated polymers , they ... calculation requires knowing the matrix elements of the Hamiltonian between all possible HF configurations ; simple ...
... calculations performed in this limit are not expected to be immediately relevant to л - conjugated polymers , they ... calculation requires knowing the matrix elements of the Hamiltonian between all possible HF configurations ; simple ...
Page 251
... 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 . 1 ( Sect . 1.4 ) . - = With the value ...
... 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 . 1 ( Sect . 1.4 ) . - = With the value ...
Contents
Introduction | 1 |
An Overview of the Theory of лConjugated Polymers | 7 |
7 | 65 |
Copyright | |
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Common terms and phrases
A.J. Heeger atoms Baeriswyl band band gap behaviour bipolarons bond alternation bond lengths calculations chain charged solitons Chem chemical shift cis-(CH conducting polymers configuration conjugated polymers Coulomb interactions 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 Hamiltonian Hartree-Fock hopping Hubbard model Hückel inter-chain kink lattice Lett linewidth magnetic Metals molecular molecules 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 Solid State Commun spectra spectrum spin density SSH model structure susceptibility symmetry Synth temperature theoretical theory trans trans-(CH trans-polyacetylene transition triplet valence bond values Vardeny