Calculations of hyperpolarizability of fullerene C60 anions

Mikhail Mestechkin, Gene Whyman

Research output: Contribution to journalConference articlepeer-review

5 Scopus citations


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.

Original languageEnglish
Pages (from-to)45-53
Number of pages9
JournalProceedings of SPIE - The International Society for Optical Engineering
StatePublished - 2003
EventNanocrystals, and Organic and Hybrid Nanomaterials - San Diego, CA, United States
Duration: 4 Aug 20038 Aug 2003


  • Coulomb interaction
  • Fullerene
  • Hyperpolarizability
  • Lorentz factor
  • Spectral transitions


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