Ab initio calculations of the polarizability and the hyperpolarizability of C[sub 60]

Norman, Patrick; Yi Luo; Jonsson, Dan; Agren, Hans
June 1997
Journal of Chemical Physics;6/1/1997, Vol. 106 Issue 21, p8788
Academic Journal
Computes the linear polarizability and second hyperpolarizability in the gas phase of carbon using ab initio cubic response theory in the random phase approximation. Basis set containing more than 1000 contracted basis functions; Calculation of average values.


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