کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10356208 | 867621 | 2012 | 19 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Multibody multipole methods
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی کامپیوتر
نرم افزارهای علوم کامپیوتر
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چکیده انگلیسی
A three-body potential function can account for interactions among triples of particles which are uncaptured by pairwise interaction functions such as Coulombic or Lennard-Jones potentials. Likewise, a multibody potential of order n can account for interactions among n-tuples of particles uncaptured by interaction functions of lower orders. To date, the computation of multibody potential functions for a large number of particles has not been possible due to its O(Nn) scaling cost. In this paper we describe a fast tree-code for efficiently approximating multibody potentials that can be factorized as products of functions of pairwise distances. For the first time, we show how to derive a Barnes-Hut type algorithm for handling interactions among more than two particles. Our algorithm uses two approximation schemes: (1) a deterministic series expansion-based method; (2) a Monte Carlo-based approximation based on the central limit theorem. Our approach guarantees a user-specified bound on the absolute or relative error in the computed potential with an asymptotic probability guarantee. We provide speedup results on a three-body dispersion potential, the Axilrod-Teller potential.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Physics - Volume 231, Issue 20, 15 August 2012, Pages 6827-6845
Journal: Journal of Computational Physics - Volume 231, Issue 20, 15 August 2012, Pages 6827-6845
نویسندگان
Dongryeol Lee, Arkadas Ozakin, Alexander G. Gray,