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

Schmitteckert, Peter , Thomale, Ronny , Korytár, Richard and Evers, Ferdinand (2017) Incommensurate quantum-size oscillations in acene-based molecular wires—Effects of quantum fluctuations. The Journal of Chemical Physics 146 (9), 092320.

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Other URL: http://doi.org/10.1063/1.4975319


Abstract

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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Item type:Article
Date:2017
Institutions:Physics > Institute of Theroretical Physics
Identification Number:
ValueType
10.1063/1.4975319DOI
Keywords:RENORMALIZATION-GROUPS; EXCITED-STATES; ANTIFERROMAGNETISM; POLYACENE; JUNCTIONS; NONACENE; SYSTEMS;
Dewey Decimal Classification:500 Science > 530 Physics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:38610
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