Fast and accurate determination of the Wigner rotation matrices in the fast multipole method.

J Chem Phys

John von Neumann Institute for Computing, Central Institute for Applied Mathematics, Research Centre Jülich, 52425 Jülich, Germany.

Published: April 2006

In the rotation based fast multipole method the accurate determination of the Wigner rotation matrices is essential. The combination of two recurrence relations and the control of the error accumulations allow a very precise determination of the Wigner rotation matrices. The recurrence formulas are simple, efficient, and numerically stable. The advantages over other recursions are documented.

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http://dx.doi.org/10.1063/1.2194548DOI Listing

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