Local Symmetries for Molecular Graphs

被引:0
|
作者
Klein, Douglas J. [1 ]
Mandal, Bholanath [1 ,2 ]
机构
[1] Texas A&M Univ, Galveston, TX 77553 USA
[2] Univ Burdwan, Dept Chem, Burdwan 713104, W Bengal, India
关键词
SATURATED-HYDROCARBONS; ORBITAL THEORY; EIGENVALUES;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Local graph symmetry groups are formally defined as acting in a non-identical fashion on just a proper (local) subset of a graph's vertices, and consequent theorems are established for adjacency matrices so as to simplify eigensolutions. These groups sometimes enlarging on the usual point groups, are illustrated, with examples of the application of the theorems. Some discussion of further utility, on elaborated models & on identification of so-called "accidental" degeneracies, is indicated.
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页码:247 / 258
页数:12
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