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On the computation of characteristic polynomial of a chemical graph
Author(s) -
Křivka P.,
Jeričević Ž.,
Trinajstić N.
Publication year - 2009
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/qua.560280813
Subject(s) - computation , polynomial , graph , mathematics , computational chemistry , combinatorics , statistical physics , theoretical physics , chemistry , physics , algorithm , mathematical analysis
Krylov's method and Le Verrier‐Faddeev's method for the computation of the characteristic polynomials of chemical graphs are discussed. Le Verrier‐Faddeev's method appears to be the most general technique for obtaining the characteristic polynomial of (complex) chemical graphs. This method is similar to the recently revived method by Frame. Krylov's method requires less computing than the Le Verrier‐Faddeev's method but is also less general.