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Ground states of large icosahedral fullerenes

✍ Scribed by Saito, Riichiro; Dresselhaus, G.; Dresselhaus, M. S.

Book ID
125498860
Publisher
The American Physical Society
Year
1992
Tongue
English
Weight
276 KB
Volume
46
Category
Article
ISSN
1098-0121

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πŸ“œ SIMILAR VOLUMES

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In this article, a new method was proposed to solve the Huckel Hamiltonian of any fullerene with a certain point group as its symmetry. This method was applied to Ε½ 2 . calculate the energy levels of icosahedral fullerenes C I , n s 60 h , 25 G h ) 0 , C . I , n s 20 h , 39 G h ) 0 , and C I, n s 2

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Based on our Hfickel calculated results for icosahedral fullerenes, the molecules C. with n = 60N are closed shell, where N has to satisfy the group requirements. By using the representative patch, we obtain the symmetries of "~ molecular orbitals for the icosahedral fullerenes. With the aid of the