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Mixing of frenkel excitons and ionic excited states of a linear molecular crystal with two molecules in the unit cell I. General model by P. Petelenz is a Physics and Astronomy article available to read on EtoBox.
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## Abstract The Merrifield theory of the interaction between the neutral and ionic excited states of a linear molecular crystal is generalized for crystals with two molecules in the unit cell. It is demonstrated that the Hamiltonian can be split into three communting terms. For two of them the original Merrifield theory is directly applicable and its conclusions are valid. The third term describes the mixing between the (+) Davydov component of the Frenkel exciton, the (+) intra‐cell CT exciton, and the (+) lengthwise and (+) crosswise ionic pair states. It can no more be treated within the frame of the original Merrifield theory. However it can be further transformed to a renormalized form which consists of two decoupled Hamiltonians. Both of them are formally analogous to the Merrifield Hamiltonian but with renormalized effective parameters. In the result some ionic states become active in the absorption spectrum.
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- Author
- P. Petelenz
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley (ISSN 0370-1972)
- Published
- 1976
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)