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Symplectic integration methods in molecular and spin dynamics simulations

Authors :
M. Krech
Shan-Ho Tsai
David P. Landau
Source :
Brazilian Journal of Physics, Volume: 34, Issue: 2a, Pages: 384-391, Published: JUN 2004, Brazilian Journal of Physics v.34 n.2a 2004, Brazilian Journal of Physics, Sociedade Brasileira de Física (SBF), instacron:SBF
Publication Year :
2004
Publisher :
FapUNIFESP (SciELO), 2004.

Abstract

We review recently developed decomposition algorithms for molecular dynamics and spin dynamics simulations of many-body systems. These methods are time reversible, symplectic, and the error in the total energy thus generated is bounded. In general, these techniques are accurate for much larger time steps than more standard integration methods. Illustrations of decomposition algorithms performance are shown for spin dynamics simulations of a Heisenberg ferromagnet.

Details

ISSN :
01039733
Volume :
34
Database :
OpenAIRE
Journal :
Brazilian Journal of Physics
Accession number :
edsair.doi.dedup.....3f606bf49c4423fd72d57cd79f64cf06
Full Text :
https://doi.org/10.1590/s0103-97332004000300009