Journal Article PreJuSER-10819

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An error-controlled fast multipole method



2009
American Institute of Physics Melville, NY

The journal of chemical physics 131, 244102 () [10.1063/1.3264952]

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Abstract: We present a two-stage error estimation scheme for the fast multipole method (FMM). This scheme can be applied to any particle system. It incorporates homogeneous as well as inhomogeneous distributions. The FMM error as a consequence of the finite representation of the multipole expansions and the operator error is correlated with an absolute or relative user-requested energy threshold. Such a reliable error control is the basis for making reliable simulations in computational physics. Our FMM program on the basis of the two-stage error estimation scheme is available on request.

Keyword(s): J ; intermolecular mechanics (auto) ; plasma-beam interactions (auto) ; potential energy functions (auto)


Note: Record converted from VDB: 12.11.2012

Contributing Institute(s):
  1. Jülich Supercomputing Centre (JSC)
Research Program(s):
  1. Scientific Computing (P41)
  2. Methoden und Systeme der Informationstechnik (FMM-20140729)

Appears in the scientific report 2009
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 Record created 2012-11-13, last modified 2020-04-23