Stability and Teller's theorem: Fullerenes in the March model

被引:26
作者
Clougherty, DP
Zhu, X
机构
[1] Department of Physics, University of Vermont, Burlington, VT
来源
PHYSICAL REVIEW A | 1997年 / 56卷 / 01期
关键词
D O I
10.1103/PhysRevA.56.632
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We study C-60 With the use of the March model [IN. H. March, Proc. Camb. Philos. Sec. 48, 655 (1952)]. A spherical shell model is;invoked to treat the nuclear potential, where the nuclear and core charges are smeared out into a shell of constant surface charge density. The valence electron distribution and the electrostatic potential are efficiently computed by integration of the Thomas-Fermi equation, subject to the shell boundary conditions. Total energy is numerically calculated over a range of shell radii, and the mechanical stability of the model is explored with attention to the constraints of Teller's theorem [E. Teller, Rev. Mod. Phys. 34, 627 (1962)]. The calculated equilibrium radius of the shell is in fair agreement with experiment.
引用
收藏
页码:632 / 635
页数:4
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