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.
|Number of pages||6|
|Journal||Journal of Physics B: Atomic, Molecular and Optical Physics|
|Publication status||Published - Nov 14 1996|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics