Conjugated Conducting PolymersHelmut G. Kiess, Dionys Baeriswyl |
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Page 15
... approximation , which involves studying in a first step the dynamics of the electronic system for a fixed geometry ... approximation is justified if the electronic motion is much more rapid than the relevant nuclear motions . Within the ...
... approximation , which involves studying in a first step the dynamics of the electronic system for a fixed geometry ... approximation is justified if the electronic motion is much more rapid than the relevant nuclear motions . Within the ...
Page 17
... approximations are very often made . One obvious approximation involves reducing the number of degrees of freedom , both by focusing on a limited number of electrons , e.g. the valence electrons , and by limiting the number of orbitals ...
... approximations are very often made . One obvious approximation involves reducing the number of degrees of freedom , both by focusing on a limited number of electrons , e.g. the valence electrons , and by limiting the number of orbitals ...
Page 61
... approximation . If the spin - up and spin- down orbitals are allowed to differ , one has the unrestricted Hartree - Fock ( UHF ) approximation ; clearly to obtain a spin - density wave within the HF approach one must use the UHF ...
... approximation . If the spin - up and spin- down orbitals are allowed to differ , one has the unrestricted Hartree - Fock ( UHF ) approximation ; clearly to obtain a spin - density wave within the HF approach one must use the UHF ...
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A.J. Heeger atoms Baeriswyl band gap behaviour bipolarons bond alternation bond lengths calculations chain charge carriers charged solitons Chem chemical shift cis-(CH conducting polymers conjugated polymers correlation Coulomb interaction coupling Cryst D.K. Campbell defects dielectric function diffusion dimerization discussed dopant dopant concentration dopant molecules doping doping levels e-e interactions effects electron correlation electron spin electron-electron interactions electron-phonon ENDOR energy excitations exciton experimental frequency function Hamiltonian Hartree-Fock hopping Hubbard model Hückel hyperfine interactions inter-chain Kivelson lattice Lett linewidth magnetic metallic molecular neutral solitons nonlinear nonlinear optical nuclear observed obtained one-dimensional optical absorption optical gap parameters peak Peierls Peierls-Hubbard model phonon Phys polarons polyacetylene polyenes polypyrrole polythiophene properties proton quantum quasi-particles Raman resonance samples Sect shown in Fig spectra spectrum spin density structure symmetry Synth tensor theory trans trans-(CH trans-polyacetylene transition valence values Vardeny