Computer Generation of Characteristic Polynomials of Edge-Weighted Graphs, Heterographs, and Directed Graphs

The computer code developed previously (K. Balasubramanian, J . Computational Chern., 5,387 (1984)) for the characteristic polynomials of ordinary (nonweighted) graphs is extended in this investigation to edge-weighted graphs, heterographs (vertex-weighted), graphs with loops, directed graphs, and signed graphs. This extension leads to a number of important applications of this code to several areas such as chemical kinetics, statistical mechanics, quantum chemistry of polymers, and unsaturated systems containing heteroatoms which include bond alternation. The characteristic polynomials of several edgeweighted graphs which may represent conjugated systems with bond alternations, heterographs (molecules with heteroatoms), directed graphs (chemical reaction network), and signed graphs and lattices are obtained for the first time.