Momentum dependent excitation processes in organic materials

Z. Shuai*, E. Zojer, G. Leising, Jean-Luc Bredas

*Corresponding author for this work

Research output: Contribution to journalConference articlepeer-review

2 Scopus citations

Abstract

We have developed a model to describe momentum dependent excitation processes in conjugated organic materials based on quantum-chemical techniques including electron-electron correlation effects. The results of our simulations do agree very well with electron energy-loss experiments. We have also been able to show the equivalence between quantum-chemical and solid state physics approaches yielding a band structure like behavior of finite size molecules with a sufficient number of repeat units. This explains the possibility of describing conjugated polymers via band-structure calculations, in spite of the fact that only finite conjugation lengths can be achieved.

Original languageEnglish (US)
Pages (from-to)337-338
Number of pages2
JournalSynthetic Metals
Volume101
Issue number1
DOIs
StatePublished - Jan 1 1999
EventProceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) - Montpellier
Duration: Jul 12 1998Jul 18 1998

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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