Conjugated Conducting Polymers |
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Page 25
Historically , the work of Hückel on the molecular orbital approach to conjugated
hydrocarbons provided the first independent - electron theory directly relevant to
finite polyenes [ 2 . 53 , 54 ] . The successes and limitations of this approach ...
Historically , the work of Hückel on the molecular orbital approach to conjugated
hydrocarbons provided the first independent - electron theory directly relevant to
finite polyenes [ 2 . 53 , 54 ] . The successes and limitations of this approach ...
Page 34
39 ) , we see that within the single - electron approach the bond alternation and
the bandgap , which as we shall later show is precisely the gap for optical
excitations , are directly related and can be described by a single parameter 40 .
39 ) , we see that within the single - electron approach the bond alternation and
the bandgap , which as we shall later show is precisely the gap for optical
excitations , are directly related and can be described by a single parameter 40 .
Page 66
approach is the difficulty of relaxing the nuclear geometry ; each new
configuration requires a time - consuming full diagonalization of the Hamiltonian .
Furthermore , if spatial symmetries are used to reduce the sizes of the matrices ,
this will ...
approach is the difficulty of relaxing the nuclear geometry ; each new
configuration requires a time - consuming full diagonalization of the Hamiltonian .
Furthermore , if spatial symmetries are used to reduce the sizes of the matrices ,
this will ...
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Contents
Introduction | 1 |
An Overview of the Theory of rConjugated Polymers | 7 |
References | 114 |
Copyright | |
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Common terms and phrases
absorption addition applied approach approximation atoms band behaviour bipolarons bond bond alternation calculations carriers chain charged chemical concentration conductivity configuration conjugated polymers contribution correlation corresponding Coulomb Coulomb interactions coupling decreases defects density dependence described determined dimerization discussed dopant doping effects electron electron-electron energy excitations expected experimental experiments field finite frequency function give ground Hamiltonian hopping Hubbard important increase indicated interactions interpretation involving lattice leads length Lett limit localized magnetic materials measurements metallic methods modes molecules motion neutral nuclear observed obtained optical pair parameter peak phonon Phys Physics polarons polyacetylene polyenes polymers position properties range relaxation resonance respect samples Sect separation shift shown shows similar single soliton spectra spectrum spin structure studies symmetry Synth temperature theoretical theory trans-(CH transition units valence values whereas