화학공학소재연구정보센터
Journal of Chemical Physics, Vol.119, No.9, 4641-4654, 2003
Numerical implementation of some reweighted path integral methods
The reweighted random series techniques provide finite-dimensional approximations to the quantum density matrix of a physical system that have fast asymptotic convergence. We study two special reweighted techniques that are based upon the Levy-Ciesielski and Wiener-Fourier series, respectively. In agreement with the theoretical predictions, we demonstrate by numerical examples that the asymptotic convergence of the two reweighted methods is cubic for smooth enough potentials. For each reweighted technique, we propose some minimalist quadrature techniques for the computation of the path averages. These quadrature techniques are designed to preserve the asymptotic convergence of the original methods. (C) 2003 American Institute of Physics.