The numbers of anharmonic potential constants of the fullerenes C60 and C70

Ferenc Varga, Laszlo Nemes, James K.G. Watson

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Abstract

The number of independent potential constants of degree n of a molecule is obtained from the reduction of the symmetric nth power of the representation Γvib of the vibrational degrees of freedom in the point group of the molecule. As an illustration, this theory is applied to the cubic and quartic potentials of the fullerenes C60 (point group Ih) and C70 (point group D5h). The numbers are extremely large, indicating that models with a considerably reduced number of parameters will be required for practical calculations.

Original languageEnglish
Pages (from-to)5043-5048
Number of pages6
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume29
Issue number21
DOIs
Publication statusPublished - Nov 14 1996

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics

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