Electronic and Optical Properties of Conjugated Polymers (2nd edition)

ISBN : 9780199677467

William Barford
320 ページ
192 x 248 mm
International Series of Monographs on Physics

Conjugated polymers have important technological applications, including solar cells and light emitting devices. They are also active components in many important biological processes. In recent years there have been significant advances in our understanding of these systems, owing to both improved experimental measurements and the development of advanced computational techniques. The aim of this book is to describe and explain the electronic and optical properties of conjugated polymers. It focuses on the three key roles of electron-electron interactions, electron-nuclear coupling, and disorder in determining the character of the electronic states, and it relates these properties to experimental observations in real systems. A number of important optical and electronic processes in conjugated polymers are also described. The second edition has a more extended discussion of excitons in conjugated polymers. There is also a new chapter on the static and dynamical localization of excitons.


1. Introduction to conjugated polymers
2. PI-electron theories of conjugated polymers
3. Noninteracting electrons
4. Electron-nuclear coupling I: Noninteracting electrons
5. Interacting electrons
6. Excitons in conjugated polymers
7. Electron-nuclear coupling II: Interacting electrons
8. Linear polyenes and trans-polyacetylene
9. Light emitting polymers
10. Exciton localization in disordered polymers
11. Optical processes in conjugated polymers
12. Excitonic processes in conjugated polymers
13. Epilogue
Appendix A: Dirac bra-ket operator representation of one-particle Hamiltonians
Appendix B: Electron-hole symmetry and average occupation number
Appendix C: Single-particle eigensolutions of a periodic polymer chain
Appendix D: The Holstein model
Appendix E: Derivation of the effective-particle Schrodinger equation
Appendix F: Hydrogenic solutions of the effective-particle exciton models
Appendix G: Valence-bond description of benzene
Appendix H: Derivation of the Frenkel exciton Hamiltonian
Appendix I: Evaluation of the electronic transition dipole moments
Appendix J: Spin-orbit coupling in PI-conjugated polymers
Appendix K: Derivation of the line dipole approximation
Appendix L: Direct configuration interaction-singles calculations
Appendix M: Density matrix renormalization group method


William Barford, University Lecturer in Theoretical Chemistry at the University of Oxford, and Tutorial Fellow in Physical Chemistry at Balliol College