Berlin 2001 – scientific programme
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A: Atomphysik
A 1: Posters Monday (Cluster, Atoms in Fields)
A 1.4: Poster
Monday, April 2, 2001, 12:30–15:00, AT3
Hydrogen inside deformed fullerene cages — •Andrey Lyalin2, Jean-Patrick Connerade1, Rachid Semaoune1, Sergey Semenov3, and Andrey Solovyov4 — 1Imperial College of London, The Blackett Lab., Prince Consort Road, London SW7 2BW, UK — 2Institute of Physics, St Petersburg State University, Ulianovskaja str.1, St Petersburg, Petrodvorez 198904, Russia — 3State University of Aerospace Instrumentation, St.Petersburg 190000, Russia — 4A.F.Ioffe Physical-Technical Institute, St. Petersburg 194021, Russia
We present a new method for the calculation of the energy structure of an atom confined inside a deformed fullerene cage. This method is based on solving the Schrödinger equation in the prolate spheroidal coordinate system (ξ,η,φ) and using quasi-atom concept [1]. We are modelling a deformed fullerene cage environment by an attractive-shell potential of depth |U0| sandwiched between two ellipsoids of revolution. This theoretical approach allows the treatment of the endohedral metallofullerene as a quasi-atom and therefore it is possible to calculate the energy of the confined atom using simple atomic concepts rather than more elaborate molecular tools.
We apply our method to the hydrogen atom confined inside a deformed C60 molecule. This study is also relevant to other trapping fullerene cages, like the egg-shaped C82, which are naturally not spherical.
The authors acknowledge financial support from Nato, INTAS and RFBR (grant 99-02-18294-a).
1. J-P.Connerade, A.Lyalin, R.Semaoune, S.Semenov and A.Solov’yov - J. Phys. B: At. Mol. Opt. Phys (2001), to be submitted.