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Abstract
The vibrational spectrum of the ${\mathrm{C}}_{70}$ molecule is calculated using first-principles density-functional theory. Our approach is based on a combination of the all-electron local-density-functional method and group-theoretical analysis. The calculated vibrational frequencies of the ${\mathrm{C}}_{70}$ molecule are found to be in good agreement with the experimental data available from Raman, infrared, and neutron inelastic-scattering measurements, and provide useful assignment for dormant modes.
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