A partially structure-preserving algorithm for the permanents of adjacency matrices of fullerenes
نویسندگان
چکیده
A partially structure-preserving 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 C60 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. 2004 Elsevier B.V. All rights reserved. PACS: 02.10.Eb; 02.10.Sp; 81.05.Tp
منابع مشابه
Computing the Permanent of the Adjacency Matrix for Fullerenes
Motivation. Novel carbon allotropes, with finite molecular structure, including spherical fullerenes are nowadays currently produced and investigated. These compounds have beautiful architectures and show unusual properties that are very promising for the development of nanotechnologies. The Kekulé structure count and permanent of the adjacency matrix are computed for these molecules. Method. A...
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عنوان ژورنال:
- Computer Physics Communications
دوره 163 شماره
صفحات -
تاریخ انتشار 2004