DISTRIBUTION OF EIGENVALUES AND EIGENVECTORS OF CHAIN MOLECULES CONTAINING RANDOM DEFECTS.

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1969

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Ohio State University

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In a previous work1 Dean's negative eigenvalue theorem has been used to compute the distribution of eigenvalues of a chain molecule containing randomly distributed mass defects. The method has been extended to conformational defects2 and, in the present work, to force constant defects. For a better understanding of the molecular dynamics of the chain, we have also applied the Givens-House-holder's method which allows to obtain the distribution of eigenvectors corresponding to approximate eigenvalues of very large matrices.

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Results will be presented and discussed. 1 Tasumi, G. Zerbi J. Chem. Phys. 48, 3813 (1968). 1 L. Piseri, G. Zerbi Chem. Phys. Letters 2, 127 (1968).


Author Institution: Istituto di Chimica del Macromolecole, c/o Istituto Chimica Industriale

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