English

Dynamical screening of an endohedral atom

Atomic and Molecular Clusters 2013-05-29 v1

Abstract

The present work is a generalisation of the dynamical screening factor presented in [1] to consider an atom located at an arbitrary position within the fullerene. A more elaborated investigation into the case where the atom is located at the centre is performed and compared with quantum mechanical calculations for dynamical screening factor of Ar@C60_{60} [2] and Mg@C60_{60} [3]. The π\pi and σ\sigma plasmons of the fullerene are accounted for in a modified screening factor to improve correspondence with the quantum calculations. The spatial dependence of the screening factor was explored with Ar@C60_{60} and Ar@C240_{240} and found to depend significantly on the radial distance of the atom from the centre of the fullerene. A spatial averaging of the screening factor is presented.

Keywords

Cite

@article{arxiv.0811.1499,
  title  = {Dynamical screening of an endohedral atom},
  author = {S Lo and A V Korol and A V Solov'yov},
  journal= {arXiv preprint arXiv:0811.1499},
  year   = {2013}
}

Comments

18 pages, 7 figures

R2 v1 2026-06-21T11:39:59.369Z