Conjugated Conducting Polymers |
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Page 15
3 ) and solve this many - body problem approximately and ( 2 ) model
calculations which replace ( 2 . 3 ) by a simpler , parametrized Hamiltonian , the
properties of which can hopefully be obtained in an accurate and controlled
manner . 2 . 2 .
3 ) and solve this many - body problem approximately and ( 2 ) model
calculations which replace ( 2 . 3 ) by a simpler , parametrized Hamiltonian , the
properties of which can hopefully be obtained in an accurate and controlled
manner . 2 . 2 .
Page 63
Here the large ( 2N - fold ) spin degeneracy renders the calculations non - trivial .
[ 2 . 136 , 148 ] . Although calculations performed in this limit are not expected to
be immediately relevant to r - conjugated polymers , they are nonetheless very ...
Here the large ( 2N - fold ) spin degeneracy renders the calculations non - trivial .
[ 2 . 136 , 148 ] . Although calculations performed in this limit are not expected to
be immediately relevant to r - conjugated polymers , they are nonetheless very ...
Page 251
Similar negative spin densities appear also in Hartree – Fock calculations ( 5 .
126 ] , INDO calculations ( 5 . 127 ] and calculations based on the density
functional method [ 5 . 128 ] . A detailed discussion of electron - electron
correlation is ...
Similar negative spin densities appear also in Hartree – Fock calculations ( 5 .
126 ] , INDO calculations ( 5 . 127 ] and calculations based on the density
functional method [ 5 . 128 ] . A detailed discussion of electron - electron
correlation is ...
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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