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<
Hückel treatment of carbon species with icosahedral symmetry
✍ Scribed by Au Chin Tang; Fu Qiang Huang; Qian Shu Li; Ruo Zhuang Liu
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 550 KB
- Volume
- 227
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
A new method which is based on the use of the 'patch' concept and the matrices of non-equivalent irreducible representations has been proposed for the Hilckel treatment of the fullerenes with Ii, symmetry. This method has been used to calculate the eigenvalues of C2mr CM, GK,, CI 500, CZ MO and GM, and the calculated results indicate that all these fullerenes should be stable.
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