Ewald summation of electrostatic interactions of systems with finite extent in two of three dimensions

被引:39
作者
Porto, M [1 ]
机构
[1] Tel Aviv Univ, Sch Chem, IL-69978 Tel Aviv, Israel
来源
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL | 2000年 / 33卷 / 35期
关键词
D O I
10.1088/0305-4470/33/35/309
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The energy of long-range Coulomb and dipole-dipole interactions in three-dimensional systems with periodicity in one direction is derived by an Ewald summation technique. II is found that, in contrast to the case with periodicity in all three directions, no convergence factor is needed to obtain a convergent result.
引用
收藏
页码:6211 / 6218
页数:8
相关论文
共 6 条
[1]  
Abramowitz M., 1970, HDB MATH FUNCTIONS
[2]   THERMODYNAMIC AND DIELECTRIC PROPERTIES OF POLAR LATTICES [J].
ADAMS, DJ ;
MCDONALD, IR .
MOLECULAR PHYSICS, 1976, 32 (04) :931-947
[3]  
Allen M. P., 1989, COMPUTER SIMULATION
[4]   SIMULATION OF ELECTROSTATIC SYSTEMS IN PERIODIC BOUNDARY-CONDITIONS .1. LATTICE SUMS AND DIELECTRIC-CONSTANTS [J].
DELEEUW, SW ;
PERRAM, JW ;
SMITH, ER .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1980, 373 (1752) :27-56
[5]  
Ewald PP, 1921, ANN PHYS-BERLIN, V64, P253
[6]   Ewald summation of electrostatic interactions in molecular dynamics of a three-dimensional system with periodicity in two directions [J].
Grzybowski, A ;
Gwózdz, E ;
Bródka, A .
PHYSICAL REVIEW B, 2000, 61 (10) :6706-6712