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)

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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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