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Updated: Jun 27, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Effective Hamiltonian for chaotic coupled oscillators
Aniruddha Chakraborty1, Michael E Kellman
1Institute of Theoretical Science and Department of Chemistry, University of Oregon, Eugene, Oregon 97403, USA.
Abstract:
A generalized effective fitting Hamiltonian is tested against a model system of highly excited coupled Morse oscillators. At energies approaching dissociation, a very few resonance couplings in addition to the standard 1:1 and 2:2 couplings of the Darling-Dennison Hamiltonian suffice to fit the spectrum and match the large-scale features of the mixed regular and chaotic phase spaces, consisting of resonance zones organized around periodic orbits of low order that break the total polyad action.
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