Physics – High Energy Physics – High Energy Physics - Lattice
Scientific paper
2005-05-18
Phys.Rev.E73:036706,2006
Physics
High Energy Physics
High Energy Physics - Lattice
14 pages, 6 figures
Scientific paper
10.1103/PhysRevE.73.036706
We examine a new 2nd order integrator recently found by Omelyan et al. The integration error of the new integrator measured in the root mean square of the energy difference, $\bra\Delta H^2\ket^{1/2}$, is about 10 times smaller than that of the standard 2nd order leapfrog (2LF) integrator. As a result, the step size of the new integrator can be made about three times larger. Taking into account a factor 2 increase in cost, the new integrator is about 50% more efficient than the 2LF integrator. Integrating over positions first, then momenta, is slightly more advantageous than the reverse. Further parameter tuning is possible. We find that the optimal parameter for the new integrator is slightly different from the value obtained by Omelyan et al., and depends on the simulation parameters. This integrator could also be advantageous for the Trotter-Suzuki decomposition in Quantum Monte Carlo.
Forcrand Philippe de
Takaishi Tetsuya
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