On Convergence Acceleration of Multipolar and Orthogonal Expansions

URN to cite this document:: urn:nbn:de:bvb:355-epub-198090
DOI to cite this document:: 10.5283/epub.19809

Homeier, H. H. H.

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License: Creative Commons Attribution Non-commercial No Derivatives 3.0
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Technical Report TC-QM-97-5, Institut für Physikalische und Theoretische Chemie, Universität Regensburg
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Date of publication of this fulltext: 22 Feb 2011 09:24

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Abstract

Multipolar expansions arise in many branches of the computational sciences. They are an example of orthogonal expansions. We present methods for the convergence acceleration of such expansions. As an example, the computation of the electrostatic potential and its multipolar expansion is treated for the case of a two-center charge density of exponential-type orbitals. This potential may ...