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arxiv: cond-mat/0103320 · v1 · submitted 2001-03-15 · ❄️ cond-mat

Excited States of Ladder-type Poly-p-phenylene Oligomers

classification ❄️ cond-mat
keywords excitedstatesladder-typeoligomersagreementangstroemapplyingapproximately
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Ground state properties and excited states of ladder-type paraphenylene oligomers are calculated applying semiempirical methods for up to eleven phenylene rings. The results are in qualitative agreement with experimental data. A new scheme to interpret the excited states is developed which reveals the excitonic nature of the excited states. The electron-hole pair of the S1-state has a mean distance of approximately 4 Angstroem.

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