Quantum chemical investigation of biexcitons in conjugated polymers

  title={Quantum chemical investigation of biexcitons in conjugated polymers},
  author={Melissa A. Pasquinelli and David J. Yaron},
  journal={Journal of Chemical Physics},
The formation of biexcitons in conjugated polymers is examined within the Pariser–Parr–Pople (PPP) model of polyacetylene. The calculations are done using a scattering formalism that provides a size-consistent description of excited states containing both single and double electron–hole pair excitations. The excited-state absorption spectrum from the 1 1Bu exciton state was calculated and examined for signatures of biexciton formation. Calculations were performed on polyenes with up to 9 unit… 
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