TY  - JOUR
AU  - Sutmann, G.
AU  - Steffen, B.
TI  - A particle-particle particle-multigrid algorithm for long range interactions in molecular systems
JO  - Computer physics communications
VL  - 169
SN  - 0010-4655
CY  - Amsterdam
PB  - North Holland Publ. Co.
M1  - PreJuSER-49307
SP  - 343 - 346
PY  - 2005
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000230528100075
DO  - DOI:10.1016/j.cpc.2005.03.077
UR  - https://juser.fz-juelich.de/record/49307
ER  -