An efficient fast-multipole algorithm based on an expansion in the solid harmonics

Journal Article · Fri Mar 01 00:00:00 EST 1996 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.471667· OSTI ID:278934

Wang, H Y; LeSar, R ^[1]

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1. Center for Materials Science, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

We present an efficient variant of the fast-multipole method for calculating long-range interactions in three-dimensional Coulombic systems. Using a multipole expansion based on the solid harmonics instead of the more common spherical harmonics leads to a greater increase in computational efficiency than a recently-reported fast-Fourier transform method, with none of the overhead associated with that approach. {copyright} {ital 1996 American Institute of Physics.}

• OSTI ID: 278934
• Journal Information: Journal of Chemical Physics, Vol. 104, Issue 11; Other Information: PBD: Mar 1996
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
INTERACTION RANGE
THREE-DIMENSIONAL CALCULATIONS
COULOMB FIELD
ALGORITHMS
FOURIER TRANSFORMATION
HARMONIC POTENTIAL
MULTIPOLES