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An Ewald summation based multipole method
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DOI：10.1063/1.1289918.png)
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We present a method for evaluating Coulomb interactions in periodic molecular systems. The real space term in Ewald summation is accelerated using a tree code in which interactions between clusters and distant particles are approximated by multipole expansions. The performance is reported for water systems. (C) 2000 American Institute of Physics. [S0021-9606(00)52333-2].
Keyword:
PERIODIC BOUNDARY-CONDITIONS
PARTICLE MESH EWALD
FAST ALGORITHM
SYSTEMS
SIMULATION
WATER
SUMS
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3.1
论文数:
7.2W
被引数:
23.2W
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