Conjugated Conducting PolymersHelmut G. Kiess, Dionys Baeriswyl |
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Page 61
... Hartree - Fock The Hartree - Fock aproximation , which we have discussed already in Sect . 2.2 for its applications at the ab initio level , can of course also be applied to model Hamiltonians . In the present context , the many ...
... Hartree - Fock The Hartree - Fock aproximation , which we have discussed already in Sect . 2.2 for its applications at the ab initio level , can of course also be applied to model Hamiltonians . In the present context , the many ...
Page 62
... Hartree - Fock solutions of the PPP model include those by Paldus and Cizek [ 2.170-172 ] . These authors showed that within the PPP model for large cyclic polyenes , the Hartree Fock single determinant solution is unstable with respect ...
... Hartree - Fock solutions of the PPP model include those by Paldus and Cizek [ 2.170-172 ] . These authors showed that within the PPP model for large cyclic polyenes , the Hartree Fock single determinant solution is unstable with respect ...
Page 79
... Hartree - Fock solutions within the range of U where the ground state is a BOW [ 2.166-168 ] . This non - degeneracy of So and S can be understood easily within strong - coupling perturbative approaches that assume U → ∞ . In this ...
... Hartree - Fock solutions within the range of U where the ground state is a BOW [ 2.166-168 ] . This non - degeneracy of So and S can be understood easily within strong - coupling perturbative approaches that assume U → ∞ . In this ...
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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