Author： Collado J. R. Alvarez
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.104, Iss.19, 2006-10, pp. : 3111-3117
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Abstract
The Hückel theory is reviewed and improved. The usefulness of several Hadamard fast transforms when preconditioning binary Hückel matrices is compared and analysed. The spectrum of large benchmark (circulant) matrices is obtained by combining the Sylvester▓Hadamard transform, the Singular Value Decomposition (SVD) and the theory of Hamiltonian symplectic matrices. The developed methodology is used to calculate the spectrum of Hückel matrices representing nanotubes of 16▉000 atoms.
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