Abstract: A Bargmann representation for boson operators combined with diagrammatic valence bond theory allows the solution of correlated electron-phonon systems on finite clusters for phonons of arbitrary frequency. The method is applied to a model for the neutral-ionic transition for mixed-stack donor-acceptor compounds on rings of up to ten sites. The influence of phonon nonadiabaticity on excitation energies, ionicity, phonon occupation numbers and potential and kinetic energies are discussed.

PHONON QUANTUM FLUCTUATIONS AT THE NEUTRAL-IONIC TRANSITION - APPLICATION OF A NEW EXACT NUMERICAL TECHNIQUE FOR FINITE CLUSTERS / Painelli, Anna; J., Voit. - In: SYNTHETIC METALS. - ISSN 0379-6779. - 43:(1991), pp. 3619-3622.

PHONON QUANTUM FLUCTUATIONS AT THE NEUTRAL-IONIC TRANSITION - APPLICATION OF A NEW EXACT NUMERICAL TECHNIQUE FOR FINITE CLUSTERS

PAINELLI, Anna;
1991-01-01

Abstract

Abstract: A Bargmann representation for boson operators combined with diagrammatic valence bond theory allows the solution of correlated electron-phonon systems on finite clusters for phonons of arbitrary frequency. The method is applied to a model for the neutral-ionic transition for mixed-stack donor-acceptor compounds on rings of up to ten sites. The influence of phonon nonadiabaticity on excitation energies, ionicity, phonon occupation numbers and potential and kinetic energies are discussed.
1991
PHONON QUANTUM FLUCTUATIONS AT THE NEUTRAL-IONIC TRANSITION - APPLICATION OF A NEW EXACT NUMERICAL TECHNIQUE FOR FINITE CLUSTERS / Painelli, Anna; J., Voit. - In: SYNTHETIC METALS. - ISSN 0379-6779. - 43:(1991), pp. 3619-3622.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11381/2350774
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