|Nov21-08, 04:41 PM||#1|
Coupling matrix elements
1. If HOMO and (HOMO-1) are degenerate, is it possible to use energy of (HOMO-2) to calculate Coupling Matrix Elements (CMEs)?
2. Can we use energies of LUMO and (LUMO+1) (or energies of unoccupied states, in general) to determine CMEs?
3. What is the main difference between adiabatic and non-adiabatic electron-transport processes
Thank you very much!
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