Application of U(2) Algebraic Model in the Study of Stretching Vibrational Spectra of Large Fullerenes C-180 and C-240

作者：Sen Rupam^*; Kalyan Ashim; Sarkar Nirmal Kumar; Bhattacharjee Ramendu

来源：Fullerenes, Nanotubes, and Carbon Nanostructures, 2013, 21(8): 725-732.

DOI：10.1080/1536383X.2012.654543

• Lie algebra
• vibrational spectra
• C-180
• C-240

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.

• 出版日期2013