
05801400
j
05801400
Liang, Heng
Bai, Fengshan
A partially structurepreserving algorithm for the permanents of adjacency matrices of fullerenes.
Comput. Phys. Commun. 163, No. 2, 7984 (2004).
2004
Elsevier (NorthHolland), Amsterdam
EN
permanent of matrix
adjacency matrix
structurepreserving algorithm
fullerenes
doi:10.1016/j.cpc.2004.08.003
Summary: A partially structurepreserving method for sparse symmetric matrices is proposed. Computational results on the permanents of adjacency matrices arising from molecular chemistry are presented. The largest adjacency matrix of fullerenes computed before is that of $C_{60}$ with a cost of several hours on supercomputers, while only about 6 min on an Intel Pentium PC (1.8 GHz) with our method. Further numerical computations are given for larger fullerenes and other adjacency matrices with $n=60$,80. This shows that our method is promising for problems from molecular chemistry.