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On Convergence Acceleration of Multipolar and Orthogonal Expansions

Homeier, H. H. H. (1998) On Convergence Acceleration of Multipolar and Orthogonal Expansions. In: 4th Electronic Computational Chemistry Conference, 1998, Internet .

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Other URL: http://www.ijc.com/articles/1998v1/28/ (out of service), http://www.uni-regensburg.de/Fakultaeten/nat_Fak_IV/Theoretische_Chemie/Homeier/preprint/TC-QM-97-5/paper.html


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 ...


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Item type:Conference or workshop item (Paper)
Additional Information (public):Proceedings of the 4th Electronic Computational Chemistry Conference
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie
Interdisciplinary Subject Network:Not selected
Identification Number:
Keywords:Multipoles, electrostatic potential, spherical harmonics, molecular integrals, extrapolation
Dewey Decimal Classification:500 Science > 500 Natural sciences & mathematics
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Deposited on:22 Feb 2011 09:24
Last modified:13 Mar 2014 19:22
Item ID:19809
Owner only: item control page


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