Extrapolated High-Order Propagators for Path Integral Monte Carlo Simulations

Details Extrapolated High-Order Propagators for Path Integral Monte Carlo Simulations Extrapolated High-Order Propagators for Path Integral Monte Carlo Simulations

2009-07-20

arxiv.org/abs/0907.3495v1

Physics

Computational Physics

9 pages and 3 figures. Submitted to J. Chem. Phys

Scientific paper

We present a new class of high-order imaginary time propagators for path-integral Monte Carlo simulations by subtracting lower order propagators. By requiring all terms of the extrapolated propagator be sampled uniformly, the subtraction only affects the potential part of the path integral. The negligible violation of positivity of the resulting path integral at small time steps has no discernable affect on the accuracy of our method. Thus in principle arbitrarily high order algorithms can be devised for path-integral Monte Carlo simulations. We verify this claim is by showing that fourth, sixth, and eighth order convergence can indeed be achieved in solving for the ground state of strongly interacting quantum many-body systems such as bulk liquid $^4$He.

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