Theoretical Investigation of the Magnetic Dipole and Electric Quadrupole Contributions to the Second-Harmonic Generation in C60 and C70
- 1 November 1994
- journal article
- research article
- Published by Taylor & Francis in Molecular Crystals and Liquid Crystals
- Vol. 256 (1) , 801-806
- https://doi.org/10.1080/10587259408039328
Abstract
We develop the Valence Effective Hamiltonian method to calculate the magnetic dipole (MD) and electric quadrupole (EQ) contributions to the hyperpolarizability β of molecular systems. For both the C60 and C70 molecules, we find that the MD contribution leads to a β value which is several times larger than that of the EQ contribution. Taking into account the local field correction factor for C60 in solid state, we calculate x (2) susceptibility values that are in excellent agreement with recent experimental data.Keywords
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