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. (C) 2002 Elsevier Science B.V. All rights reserved.
Cooperative and non-linear phenomena at the neutral-ionic phase transition / Painelli, Anna; DEL FREO, Luca; Soos, Z. G.. - In: SYNTHETIC METALS. - ISSN 0379-6779. - 133:(2003), pp. 619-621.
Cooperative and non-linear phenomena at the neutral-ionic phase transition
PAINELLI, Anna;DEL FREO, Luca;
2003-01-01
Abstract
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. (C) 2002 Elsevier Science B.V. All rights reserved.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
