English

Ground state properties of a confined simple atom by C$_{60}$ fullerene

Other Condensed Matter 2009-11-13 v1

Abstract

We numerically study the ground state properties of endohedrally confined hydrogen (H) or helium (He) atom by a molecule of C60_{60}. Our study is based on Diffusion Monte Carlo method. We calculate the effects of centered and small off-centered H- or He-atom on the ground state properties of the systems and describe the variation of ground state energies due to the C60_{60} parameters and the confined atomic nuclei positions. Finally, we calculate the electron distributions in xzx-z plane in a wide range of C60_{60} parameters.

Keywords

Cite

@article{arxiv.cond-mat/0703296,
  title  = {Ground state properties of a confined simple atom by C$_{60}$ fullerene},
  author = {M. Neek-Amal and G. Tayebirad and R. Asgari},
  journal= {arXiv preprint arXiv:cond-mat/0703296},
  year   = {2009}
}

Comments

23 pages, 9 figures. To appear in J.Phys. B: Atom. Mol. Opt