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Factorization of the Hückel Hamiltonian matrix for C540

✍ Scribed by C.G. Liu; M.M. Wang; Y.H. Shao; Y.S. Jiang


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
236 KB
Volume
196
Category
Article
ISSN
0375-9601

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Eigenvalues and eigenfunctions of Hückel
✍ Au-Chin Tang; Qian-Shu Li 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 503 KB

Bigenvalues and eigenfunctions of Hiickel Hamiltonian for carbon species C., n=2p (k+2), with Dp (even k) or Dph (odd k) symmetry have been discussed with help of group theory and graph theory. The derived formulas have been used to calculate the eigenvalues of the whole set of molecules with 3 <p<