Theoretical Aspects of Conducting Polymers: Electronic Structure and Defect States |
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Page 66
... interchain coupling would strongly reduce the quantum effects . There exists a vast literature on all - electron calculations for the band structure and ground state It properties of polymers , mostly on the Hartree - Fock - 66 -
... interchain coupling would strongly reduce the quantum effects . There exists a vast literature on all - electron calculations for the band structure and ground state It properties of polymers , mostly on the Hartree - Fock - 66 -
Page 67
Electronic Structure and Defect States Dionys Baeriswyl. properties of polymers , mostly on the Hartree - Fock level ( cf. Kertész 1982 ) . Local density functional methods have been applied only recently to polyacetylene ( Grant and ...
Electronic Structure and Defect States Dionys Baeriswyl. properties of polymers , mostly on the Hartree - Fock level ( cf. Kertész 1982 ) . Local density functional methods have been applied only recently to polyacetylene ( Grant and ...
Page 86
... Hartree - Fock solution presented in Section 5.1 yields a good approxi- mation both for the electronic gap and the dimerization amplitude ( since the gap produced by bond alternation eliminates certain singularities associated with a ...
... Hartree - Fock solution presented in Section 5.1 yields a good approxi- mation both for the electronic gap and the dimerization amplitude ( since the gap produced by bond alternation eliminates certain singularities associated with a ...
Common terms and phrases
A.J. Heeger absorption amplitude approximation associated assume Baeriswyl band becomes Bishop bond alternation bond length bond order boundary calculations Campbell chain changes charge conducting configuration consider constant continuum limit correlation corresponds coupling defect density depend described determined dimerization discrete discuss disorder distortion dynamical effects electronic energy equation et al expected experiments extent field fluctuations force function given gives ground Hamiltonian hand Hückel impurity increasing integral interaction interchain coupling involved kink lattice leads Lett levels limit MacDiarmid Mele modes Notice observed obtained optical parameter particular Peierls phase phonon Phys Physics points polaron polyacetylene polymers potential presented produced properties proposed represents respect Rice Schrieffer self-consistency shown single Solid soliton solution strongly structure temperature theory whereas yields