Application of U(2) Algebraic Model in the Study of Stretching Vibrational Spectra of Large Fullerenes C180 and C240
FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES(2013)
摘要
In this study, the Hamiltonian describing the stretching vibrational spectra of fullerenes C-180 and C-240 are calculated within the framework of the vibron model by using the dynamical U(2) Lie algebra. Here, every C-C bond of the molecule is replaced by a corresponding Lie algebra and finally the Hamiltonian is constructed considering the interacting Casimir and Majorana operators. The fundamental stretching vibrational energy levels of the carbon cluster C-180 and C-240 are then calculated using this Hamiltonian to fit the semi-empirical MNDO calculation.
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关键词
Lie algebra,vibrational spectra,C-180,C-240
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