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

被引:3
作者
Amovilli, Claudio
March, Norman H.
机构
[1] Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy
[2] Univ Antwerp, Dept Phys, B-2020 Antwerp, Belgium
[3] Univ Oxford, Oxford OX1 2JD, England
来源
PHYSICAL REVIEW A | 2006年 / 73卷 / 06期
关键词
D O I
10.1103/PhysRevA.73.063205
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
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 C-60 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 C-14, C-18, and C-22 is given.
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页数:6
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