On eigenvalues and eigenvectors of graphs |
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| Authors: | Shyi-Long Lee Yeong-Nan Yeh |
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| Institution: | (1) Institute of Chemistry, Academia Sinica, Taipei, 11529, Taiwan, ROC;(2) Institute of Mathematics, Academia Sinica, Taipei, 11529, Taiwan, ROC |
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| Abstract: | It is known that there exists an equivalence relation between the adjacency matrix of graph theory and the Hückel matrix of Hückel molecular orbital theory. This paper presents some useful methods which allow us to systematically find eigenvalues and eigenvectors of various classes of graphs without calculating characteristic polynomials. Results obtained from this study give insight into the topological studies of molecular orbitals.Dedicated to Professor Frank Harary on the occasion of his 70th birthday. |
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