Dipole polarizability, sum rules, mean excitation energies, and long-range dispersion coefficients for buckminsterfullerene C60

Experimental photoabsorption cross-sections combined with constraints provided by the Kuhn-Reiche-Thomas sum rule and the high-energy behavior of the dipole-oscillator-strength density are used to construct dipole oscillator strength distributions for buckminsterfullerene (C-60). The distributions are used to predict dipole sum rules S-k, mean excitation energies I-k, the frequency dependent polarizability, and C-6 coefficients for the long-range dipole-dipole interactions of C-60 with a variety of atoms and molecules. (C) 2011 Elsevier B.V. All rights reserved.