Theoretical investigation of the magnetic dipole and electric quadrupole contributions to the second-harmonic generation in c60 and c70

Z. Shuai; J. L. BréDas

doi:10.1080/10587259408039328

Theoretical investigation of the magnetic dipole and electric quadrupole contributions to the second-harmonic generation in c60 and c70

Z. Shuai, J. L. BréDas

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

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.

Original language	English (US)
Pages (from-to)	801-806
Number of pages	6
Journal	Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals
Volume	256
Issue number	1
DOIs	https://doi.org/10.1080/10587259408039328
State	Published - Nov 1994
Externally published	Yes

ASJC Scopus subject areas

Condensed Matter Physics

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10.1080/10587259408039328

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Theoretical investigation of the magnetic dipole and electric quadrupole contributions to the second-harmonic generation in c60 and c70. / Shuai, Z.; BréDas, J. L.
In: Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol. 256, No. 1, 11.1994, p. 801-806.

Research output: Contribution to journal › Article › peer-review

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title = "Theoretical investigation of the magnetic dipole and electric quadrupole contributions to the second-harmonic generation in c60 and c70",

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.",

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year = "1994",

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Theoretical investigation of the magnetic dipole and electric quadrupole contributions to the second-harmonic generation in c60 and c70

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