Conjugated Conducting PolymersHelmut G. Kiess, Dionys Baeriswyl |
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Page 15
... Hamiltonian then depends only on the nuclear coordinates R. In a second step this Hamil- tonian is used for calculating the ground - state configuration of the nuclei and the ( adiabatic ) dynamics around this ground state . The Born ...
... Hamiltonian then depends only on the nuclear coordinates R. In a second step this Hamil- tonian is used for calculating the ground - state configuration of the nuclei and the ( adiabatic ) dynamics around this ground state . The Born ...
Page 19
... Hamiltonian ( 2.3 ) and for the para- metrized model Hamiltonian , and adjust the parameters of the model so as to reproduce closely the ab initio results . Secondly , a more phenomenological method is to calculate , using a given model ...
... Hamiltonian ( 2.3 ) and for the para- metrized model Hamiltonian , and adjust the parameters of the model so as to reproduce closely the ab initio results . Secondly , a more phenomenological method is to calculate , using a given model ...
Page 56
... Hamiltonian decomposes into two mutually independent terms , a tight - binding Hamiltonian for N spinless fermions on N1 sites and a Heisenberg spin Hamiltonian with a density - dependent exchange integral J [ 2.148 , 149 ] . For finite ...
... Hamiltonian decomposes into two mutually independent terms , a tight - binding Hamiltonian for N spinless fermions on N1 sites and a Heisenberg spin Hamiltonian with a density - dependent exchange integral J [ 2.148 , 149 ] . For finite ...
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Common terms and phrases
A.J. Heeger A.R. Bishop 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 G.L. Baker Hamiltonian Hartree-Fock hopping Hubbard model Hückel inter-chain kink Kivelson lattice Lett linewidth magnetic metallic molecular molecules neutral solitons nonlinear nonlinear optical nuclear observed 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 Solid State Commun spectra spectrum spin density SSH model susceptibility symmetry Synth temperature theoretical theory trans trans-(CH trans-polyacetylene transition triplet valence bond values Vardeny