AN EFFICIENT FAST-MULTIPOLE ALGORITHM-BASED ON AN EXPANSION IN THE SOLID HARMONICS

Authors
Citation
Hy. Wang et R. Lesar, AN EFFICIENT FAST-MULTIPOLE ALGORITHM-BASED ON AN EXPANSION IN THE SOLID HARMONICS, The Journal of chemical physics, 104(11), 1996, pp. 4173-4179
Citations number
19
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
104
Issue
11
Year of publication
1996
Pages
4173 - 4179
Database
ISI
SICI code
0021-9606(1996)104:11<4173:AEFAOA>2.0.ZU;2-U
Abstract
We present an efficient variant of the fast-multipole method for calcu lating long-range interactions in three-dimensional Coulombic systems. Using a multipole expansion based on the solid harmonics instead of t he more common spherical harmonics leads to a greater increase in comp utational efficiency than a recently-reported fast-Fourier transform m ethod, with none of the overhead associated with that approach. (C) 19 96 American Institute of Physics.