Conjugated Conducting Polymers |
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Page 14
1 The Born - Oppenheimer Approximation In its full complexity , the theoretical
problem of modelling the even polyene C2nH2n + 2 at a truly microscopic level is
described by a quantum - mechanical Hamiltonian , H , which one can formally ...
1 The Born - Oppenheimer Approximation In its full complexity , the theoretical
problem of modelling the even polyene C2nH2n + 2 at a truly microscopic level is
described by a quantum - mechanical Hamiltonian , H , which one can formally ...
Page 15
The formal embodiment of this observation is provided by the Born -
Oppenheimer approximation , which involves studying in a first step the dynamics
of the electronic system for a fixed geometry of the nuclei . The total energy of the
electrons ...
The formal embodiment of this observation is provided by the Born -
Oppenheimer approximation , which involves studying in a first step the dynamics
of the electronic system for a fixed geometry of the nuclei . The total energy of the
electrons ...
Page 17
Therefore , additional approximations are very often made . One obvious
approximation involves reducing the number of degrees of freedom , both by
focusing on a limited number of electrons , e . g . the valence electrons , and by
limiting the ...
Therefore , additional approximations are very often made . One obvious
approximation involves reducing the number of degrees of freedom , both by
focusing on a limited number of electrons , e . g . the valence electrons , and by
limiting the ...
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Contents
Introduction | 1 |
An Overview of the Theory of rConjugated Polymers | 7 |
References | 114 |
Copyright | |
7 other sections not shown
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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
Bibliographic information
| Title | Conjugated Conducting Polymers Volume 102 of Lecture Notes in Artificial Intelligence Volume 102 of Solid-State Sciences Series Volume 102 of Springer series in solid-state sciences, ISSN 0171-1873 |
| Editors | Helmut G. Kiess, Dionys Baeriswyl |
| Edition | illustrated |
| Publisher | Springer-Verlag, 1992 |
| Original from | the University of Michigan |
| Digitized | 26 Nov 2007 |
| ISBN | 0387535942, 9780387535944 |
| Length | 310 pages |
| Subjects | › › Science / Physics / General |
| Export Citation | BiBTeX EndNote RefMan |