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note
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In the calculations presented in this paper, we have not made a complete calculation of the kernel K (r →, r → ′ ). Rather we have made a constant shift of the atomic energies of all the orbitals of the first (or last) bezene ring. The shift is proportional to the net charge on the benzene ring, and the distance dependence is determined by a simple model, where a ring of charge is placed above a metallic plane. Such an approximation will have all the correct features of the exact kernel K (r →, r → ′ ).
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