Spectra of graphs and semi-conducting polymers

被引：0

作者：

Schapotschnikow, Philipp ^{[1
]}

Gnutzmann, Sven ^{[2
]}

机构：

[1] Univ Utrecht, POB 80000, NL-3508 TA Utrecht, Netherlands

[2] Univ Nottingham, Sch Math Sci, Nottingham, England

来源：

ANALYSIS ON GRAPHS AND ITS APPLICATIONS | 2008年 / 77卷

关键词：

D O I：

暂无

中图分类号：

O1 [数学];

学科分类号：

0701 ; 070101 ;

摘要：

We study the band gap in some semi-conducting polymers with two models: Huckel molecular orbital theory and the so-called free electron model. The two models are directly related to spectral theory oil combinatorial and metric graphs. Our numerical results reproduce qualitatively experimental results and results from much more complex density-functional calculations. We show that, several trends can be predicted from simple graph models as the size of the object tends to infinity.

引用

页码：691 / +

页数：3

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