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Paper   IPM / Physic / 8339
School of Physics
  Title:   Ground State Properties of A Confined Simple Atom by C60 Fullerene
  Author(s): 
1.  M. Neek-Amal
2.  G. Tayebirad
3.  R. Asgari
  Status:   Published
  Journal: J. Phys. B
  Vol.:  40
  Year:  2007
  Pages:   1509-1521
  Supported by:  IPM
  Abstract:
We numerically study the ground state properties of endohedrally and exohedrally confined hydrogen (H) or helium (He) atom by a molecule of C60. Our study is based on Diffusion Monte Carlo method. We calculate the effects of centered and off-centered H- or He-atom on the ground state properties and describe the variation of ground state energies due to the C60 parameters and confined atomic nuclei positions. Finally, we calculate the electron distributions along different axes in a wide range of C60 parameters.

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