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Theoretical description of charge-transfer states is presented on the example of one-component organic molecular crystals. The classical approach where the charges are envisaged as localized is used as a starting point for discussing the quantum delocalization effects. General experience-based suggestions for constructing the model Hamiltonians are discussed, and the problems of parameter estimation are highlighted. The misleading aspects of the quantum description are given particular attention in relation to experimental data (photocurrent and electro-absorption). Crucial points are illustrated on the results of the past and of the very recent calculations. Wherever possible, the general context of the calculations is emphasized.
1. Introduction
2. Experimental observation of CT states
3. Theoretical description of CT states
4. Model Hamiltonian
5. Parametrization
6. Conceptual subtleties and pitfalls
7. Experimental verification
8. Intuitive conclusions
9. Concluding remarks
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