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Local density functional calculations of the polarizability and second-order hyperpolarizability of fullerene-C60

✍ Scribed by Matsuzawa, Nobuyuki; Dixon, David A.


Book ID
118742868
Publisher
American Chemical Society
Year
1992
Tongue
English
Weight
576 KB
Volume
96
Category
Article
ISSN
0022-3654

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The QED-MP2 model based on the quasi-energy derivative method in the second-order Moller-Plesset perturbation theory is formulated, and frequency-dependent (dynamic) polarizabilities [a(-w; o~)] for H20 and NH3 are calculated. Dynamic polarizabilities obtained for HzO agree with experimental values.