Coulomb forces and potentials in systems with an orthorhombic unit cell

被引：20

作者：

Lekner, J ^{[1
]}

机构：

[1] Victoria Univ Wellington, Dept Phys, Wellington, New Zealand

来源：

MOLECULAR SIMULATION | 1998年 / 20卷 / 06期

关键词：

Coulomb forces; orthorhombic unit cell;

D O I：

10.1080/08927029808022043

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

R. Sperb's development of the author's earlier work on summation of Coulomb fields in periodically repeated systems with a cubic unit cell is extended to systems with an orthorhombic unit cell. This permits rapid evaluation of Coulomb forces and potentials in systems other than those with a cubic unit cell. A general formula enables the Madelung constant to be calculated, as a function of the cell dimensions a, b and c.

引用

页码：357 / 368

页数：12

共 7 条

[1] MADELUNG CONSTANTS OF SOME CUBIC CRYSTALS [J].