TITLE

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

AUTHOR(S)
Norman, Patrick; Yi Luo; Jonsson, Dan; Agren, Hans
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/1/1997, Vol. 106 Issue 21, p8788
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
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.
ACCESSION #
4283787

 

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