KWIK - COULOMB ENERGIES IN O(N) WORK

Citation
Jp. Dombroski et al., KWIK - COULOMB ENERGIES IN O(N) WORK, Journal of physical chemistry, 100(15), 1996, pp. 6272-6276
Citations number
29
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
100
Issue
15
Year of publication
1996
Pages
6272 - 6276
Database
ISI
SICI code
0022-3654(1996)100:15<6272:K-CEIO>2.0.ZU;2-C
Abstract
We introduce the KWIK algorithm for computing the Coulomb energy of N localized charge distributions. Asymptotically, like the Fast Multipol e Method (FMM), the computational cost of the method scales linearly w ith 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 t o systems with up to 10(6) charged particles.