Dependence of the π-electron eigenvalue sum on the number of atoms in almost spherical C cages Academic Article uri icon

abstract

  • The relation between the π-electron eigenvalue sum and the number of atoms in spherical C cages was studied. A free-electron-like model was developed to evaluate the eigenvalue sum of the spherical C cages, being proportional to N, where N is the number of C atoms. The energy scaling relations were obtained by the comparison of these models with a series of Hartree-Fock calculations on the fullerenes C50, C60, C70 and C84. The Hartree-Fock studies confirmed the relation between the all-electron eigenvalue sum and the total energy of the four C cages at equilibrium. © Oxford University Press 2002.

published proceedings

  • PHYSICAL REVIEW A

author list (cited authors)

  • Amovilli, C., Howard, I. A., Klein, D. J., & March, N. H.

citation count

  • 11

complete list of authors

  • Amovilli, C||Howard, IA||Klein, DJ||March, NH

publication date

  • July 2002