KWIK: Coulomb energies in O(N) work

被引：59
作者：
Dombroski, JP
Taylor, SW
Gill, PMW
机构：
[1] MASSEY UNIV,DEPT CHEM,PALMERSTON NORTH,NEW ZEALAND
[2] UNIV AUCKLAND,DEPT MATH,TAMAKI,NEW ZEALAND
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1996年 / 100卷 / 15期
关键词：
D O I：
10.1021/jp952841b
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：
We introduce the KWIK algorithm for computing the Coulomb energy of N localized charge distributions. Asymptotically, like the Fast Multipole Method (FMM), the computational cost of the method scales linearly with N. This scaling can be traced to the Laws of Large Numbers and, in particular, to the statistics of the two-dimensional random walk. We have implemented the algorithm on a small workstation and applied it to systems with up to 10(6) charged particles.
引用
收藏
页码：6272 / 6276
页数：5
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