Analytical eigenspectra of alternant edge-weighted graphs of linear chains and cycles: some applications

被引：13

作者：

Ghosh, Piyali ^{[1
]}

Klein, Douglas J. ^{[2
]}

Mandal, Bholanath ^{[1
,2
]}

机构：

[1] Univ Burdwan, Dept Chem, Burdwan 713104, W Bengal, India

[2] Texas A&M Univ, Dept Marine Sci, Galveston, TX 77553 USA

来源：

MOLECULAR PHYSICS | 2014年 / 112卷 / 16期

关键词：

alternant edge-weighted graphs; graph eigenspectra; poly(p-phenylene); zigzag edge graphene; carbon nanotube and nanotori; SEMI-EMPIRICAL THEORY; ELECTRONIC-STRUCTURE; AROMATIC-MOLECULES; CHARACTERISTIC-POLYNOMIALS; QUANTUM CONTRIBUTIONS; CONJUGATED SYSTEMS; CARBON NANOTUBES; UNIFIED THEORY; POLYENES; EIGENVALUES;

D O I：

10.1080/00268976.2014.886737

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Analytical eigenspectra for the graphs of linear chains and cycles with alternant edge weights has been derived with the use of two independent methods, namely, the characteristic polynomial and the graph squaring. In the former method the rotational symmetry and the trigonometric identity have been exploited. These methods along with the expressions of eigenspectra so obtained have been found to be very useful in expressing analytical eigensolutions of some important as well as novel benzenoids, for example, linear p-methylene poly(p-phenylene), cylindrical poly(p-phenylene), zigzag edge graphene, carbon nanotube and carbon nanotori. Some of these eigensolutions have been analysed in exploring some consequences thereof.

引用

页码：2093 / 2106

页数：14

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