Electrostatic energy of polygonal charge distributions

被引:4
|
作者
Cioslowski, Jerzy [1 ]
Albin, Joanna [1 ]
机构
[1] Univ Szczecin, Inst Phys, PL-70451 Szczecin, Poland
关键词
Polygonal charge distribution; Electron-electron repulsion; ASYMPTOTICS; PARTICLES;
D O I
10.1007/s10910-012-9975-z
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
An asymptotic series for the electrostatic energy epsilon(1)(N) of an N-gonal charge distribution, i.e., a set of unit charges occupying vertices of a regular N-gon with a unit circumradius, is derived. Application of Pade approximants to truncations of this expansion produces compact approximate formulae capable of estimating epsilon(1)(N) with great accuracy. A closed-form expression for the energy of electrostatic interaction of two polygonal charge distributions is obtained from the respective Fourier series. The availability of this expression allows for a rapid calculation of the relevant energy with computational effort independent of the numbers of particles involved.
引用
收藏
页码:1378 / 1385
页数:8
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