Spectroscopic Analysis of C20 Isomers by the U(2) Algebraic Model

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES(2013)

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摘要
The vibrational energy levels of C-20 isomers are calculated considering the local Hamiltonian of Morse potential using the U(2) Lie algebra. Here each bond of the molecule is replaced by a corresponding Lie algebra. Finally the local Hamiltonian is constructed considering the interacting Casimir and Majorana invariant operators. By constructing the Hamiltonian, we calculate the local mode vibrational energy levels of C-20 isomers and thus compare the accuracy of algebraic model with PM3 model.
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关键词
Lie algebra,vibrational energy level,fullerene,PM3 model
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