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A study of the stretching vibrational spectroscopy of C120O and C120O2 by u(2) lie algebra

DOI: 10.2298/jsc120131074s

Keywords: Lie algebra , vibrational spectra , C120O , C120O2

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Abstract:

The vibrational energy levels of endohedral fullerene dimers C120O and C120O2 are calculated considering the local Hamiltonian of Morse potential using the algebra. Here each bond of the molecules is replaced by a corresponding Lie algebra and finally the Hamiltonian is constructed considering the interacting Casimir and Majorana operators. The fundamental stretching modes of vibration of both the dimmers C120O and C120O2 are then calculated using this Hamiltonian to compare the results of functional-based tight-binding (DF-TB) calculations.

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