Cooperative and non-linear phenomena at the neutral-ionic phase transition
Anna Painelli, Luca Del Freo, Zoltan G. Soos
Abstract
The complex interplay among on-site energy, Hubbard U, and coupling to Holstein and Peierls phonons at the neutral-ionic phase transition is discussed using diagrammatic valence bond calculations. The charge transfer and dimerization amplitudes and the infrared intensity of molecular vibrations are studied in the transition region.
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