Author/Authors :
Ruud، نويسنده , , Kenneth and إgren، نويسنده , , Hans and Helgaker، نويسنده , , Trygve and Dahle، نويسنده , , Pهl and Koch، نويسنده , , Henrik and Taylor، نويسنده , , Peter R، نويسنده ,
Abstract :
Using London atomic orbitals and a recent parallel implementation of our second-order ab initio property code, we have determined the Hartree–Fock limit for the magnetizability of C60 to be −359±5 ppm cgs, in excellent agreement with earlier basis-set limit extrapolations. Using diamagnetic exaltation as a criterion for aromaticity, our calculations show that C60 is an aromatic molecule with a relative diamagnetic exaltation greater than that of benzene.