Phys. Rev. E 75, 051912 (2007) - Two-center-multipole expansion method: Application to macromolecular systems

Two-center-multipole expansion method: Application to macromolecular systems

Ilia A. Solov’yov, Alexander V. Yakubovich, Andrey V. Solov’yov, and Walter Greiner

Phys. Rev. E 75, 051912 – Published 17 May 2007

Abstract

We propose a theoretical method for the calculation of the interaction energy between macromolecular systems at large distances. The method provides a linear scaling of the computing time with the system size and is considered as an alternative to the well-known fast multipole method. Its efficiency, accuracy, and applicability to macromolecular systems is analyzed and discussed in detail.

Received 24 October 2006

DOI:https://doi.org/10.1103/PhysRevE.75.051912

©2007 American Physical Society

Authors & Affiliations

Ilia A. Solov’yov^*,†, Alexander V. Yakubovich^*, Andrey V. Solov’yov^*, and Walter Greiner

Frankfurt Institute for Advanced Studies, Max von Laue Strasse 1, 60438 Frankfurt am Main, Germany

^*On leave from the A.F. Ioffe Institute, St. Petersburg, Russia.
^†Email address: ilia@fias.uni-frankfurt.de

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Issue

Vol. 75, Iss. 5 — May 2007

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