We present a model for the C60 molecule in which the σ bond energy is given by pairwise Morse potentials and the π bond energy is given by a statistical model. Good results for the binding energy and equilibrium sphere radius are obtained when exchange and correlation energies are included in the model, whereas poor results are obtained when these effects are neglected.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry