Charge and Energy Transfer Dynamics in Molecular Systems

This lecture provides theoretical grounds for understanding charge and energy transfer/transport processes in organic semiconductors. The relevance for the design of light emitting diodes, solar cells, and field effect transistors will be outlined.



   1. Electronic and Vibrational Molecular States
   2. Molecular Schrodinger Equation
   3. Born-Oppenheimer Separation
   4. Electronic Structure Methods
   5. The Golden Rule of Quantum Mechanics

Electron Transfer

   1. Theoretical Models for Electron Transfer Systems
   2. The Electron Transfer Hamiltonian
   3. Two Independent Sets of Vibrational Coordinates
   4. State Representation of the Hamiltonian
   5. Regimes of Electron Transfer
   6. Landau-Zener Theory of Electron Transfer
   7. Nonadiabatic Electron Transfer in a Donor-Acceptor Complex
   8. High-Temperature Case
   9. Low-Temperature Case: Nuclear Tunneling
  10. The Mixed Quantum-Classical Case
  11. Description of the Mixed Quantum-Classical Case by a Spectral Density
  12. Nonadiabatic Electron Transfer in Polar Solvents
  13. The Solvent Polarization Field and the Dielectric Function
  14. The Free Energy of the Solvent
  15. The Rate of Nonadiabatic Electron Transfer in Polar Solvents

Exciton Transfer

   1. The Exciton Hamiltonian
   2. The Two-Level Model
   3. Delocalized Exciton States
   4. Exciton-Vibrational Interaction
   5. Regimes of Exciton Transfer
   6. Forster Theory of Incoherent Exciton Transfer
   7. The Forster Transfer Rate
   8. Energy Transfer Between Delocalized States
   9. Static Disorder
  10. Exciton-Exciton Annihilation