%0 Journal Article
%A Sutmann, G.
%A Steffen, B.
%T A particle-particle particle-multigrid algorithm for long range interactions in molecular systems
%J Computer physics communications
%V 169
%@ 0010-4655
%C Amsterdam
%I North Holland Publ. Co.
%M PreJuSER-49307
%P 343 - 346
%D 2005
%Z Record converted from VDB: 12.11.2012
%X A fast method of order O(N) is proposed to calculate interaction energies and forces in molecular systems with open boundaries, exerted by long range Coulomb interactions. The method consists of a fast multigrid Poisson solver for the far field smooth part of the potential and a particle-particle based method for the near field contribution. Boundary conditions are calculated with a multipole expansion method. Test cases are performed for the performance of the method. (c) 2005 Elsevier B.V. All rights reserved.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000230528100075
%R 10.1016/j.cpc.2005.03.077
%U https://juser.fz-juelich.de/record/49307