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Method for construction of characteristic polynomials via graph linearization
Author(s) -
Datta Kakali,
Mukherjee Asok K.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)65:3<199::aid-qua1>3.0.co;2-r
Subject(s) - combinatorics , isospectral , vertex (graph theory) , mathematics , 1 planar graph , linearization , graph , discrete mathematics , line graph , pure mathematics , nonlinear system , physics , quantum mechanics
A new method for construction of characteristic polynomials (CP) of complicated graphs having arbitrary edge and vertex weights has been developed. The method first converts the graph into isospectral linear chains with weighted vertices and edges and then builds up the CP coefficients recursively. Two types of graphs have been used for illustration, viz., (i) graphs that can be linearized by symmetry factorization and (ii) graphs without symmetry which are to be linearized by an algorithm involving walks of unit length. Both types have been illustrated, of which type (i) includes the Schlegel of fullerene fragment C 20 and another large graph with many fused rings. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 65 : 199–204, 1997