Spectra of graphs and semi-conducting polymers

zbMATH Open1154.81378arXiv0711.2621MaRDI QIDQ3545460

Philipp Schapotschnikow, Sven Gnutzmann

Publication date: 10 December 2008

Abstract: We study the band gap in some semi-conducting polymers with two models: H"uckel molecular orbital theory and the so-called free electron model. The two models are directly related to spectral theory on combinatorial and metric graphs.

Full work available at URL: https://arxiv.org/abs/0711.2621

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Statistical mechanics of semiconductors (82D37) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Boundary value problems on graphs and networks for ordinary differential equations (34B45)

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