Calculations of hyperpolarizability of fullerene C60 anions

Mikhail M. Mestechkin; Gene Whyman

doi:10.1117/12.504626

14 November 2003 Calculations of hyperpolarizability of fullerene C₆₀ anions

Mikhail M. Mestechkin, Gene Whyman

Proceedings Volume 5222, Nanocrystals, and Organic and Hybrid Nanomaterials; (2003) https://doi.org/10.1117/12.504626
Event: Optical Science and Technology, SPIE's 48th Annual Meeting, 2003, San Diego, California, United States

Abstract

In the framework of the semi-empirical version of TDHF approach, the spectral parameters, linear and higher polarizabilities (in particular, for THG and EFISH) are calculated for free C₆₀ molecule and crystal, and for closed-shell anions (C₆₀)^-2,(C₆₀)^-4,(C₆₀)^-6 in fullerides. It is demonstrated that the direct calculation of polarizability for the neutral molecule in crystals and similar calculation by means of the Lorentz factors gives the equivalent results while for HP the direct calculation includes higher field effects resulting in the approximately 5% increase of HP as compared to the Lorentz type calculation.

Citation Download Citation

Mikhail M. Mestechkin and Gene Whyman "Calculations of hyperpolarizability of fullerene C₆₀ anions", Proc. SPIE 5222, Nanocrystals, and Organic and Hybrid Nanomaterials, (14 November 2003); https://doi.org/10.1117/12.504626

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