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Incommensurate quantum-size oscillations in acene-based molecular wires—Effects of quantum fluctuations

Schmitteckert, Peter ; Thomale, Ronny ; Korytár, Richard ; Evers, Ferdinand


Molecular wires of the acene-family can be viewed as a physical realization of a two-rung ladder Hamiltonian. For acene-ladders, closed-shell ab initio calculations and elementary zone-folding arguments predict incommensurate gap oscillations as a function of the number of repetitive ring units, N-R, exhibiting a period of about ten rings. Results employing open-shell calculations and a ...


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