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Phys. Rev. A 73, 063205 (2006) [6 pages]

Two-dimensional electrostatic analog of the March model of C60 with a semiquantitative application to planar ring clusters

Claudio Amovilli
Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, I-56126 Pisa, Italy

Norman H. March
Department of Physics, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerpen, Belgium
Received 20 March 2006; published 22 June 2006

The so-called March model of fullerene uses the one-center approximation of quantum chemistry to calculate the spherical pi-electron density rho by the Thomas-Fermi (TF) statistical method. Then the variational principle of the TF theory is employed by combining the electronic energy determined entirely by rho with the discrete C60 nuclear potential energy to predict, semiquantitatively, the equilibrium radius. Here the same approach is worked out, but now largely analytically, in two dimensions, as a possible model of planar ring clusters. Again the equilibrium radii are calculated and consistency with realistic clusters of hydrogen and carbon rings is discussed in detail. Finally, an estimate of the "breathing" frequency of C14, C18, and C22 is given.

©2006 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevA.73.063205
DOI: 10.1103/PhysRevA.73.063205
PACS: 36.40.-c; 31.15.Bs
  • 36.40.-c
    Atomic and molecular clusters
  • 31.15.Bs
    Statistical model calculations (atoms and molecules) including Thomas–Fermi and Thomas–Fermi–Dirac models
  • YEAR: 2006
KEYWORDS: fullerenes, atomic clusters, quantum chemistry, variational techniques, Thomas-Fermi model, molecular electronic states

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