2002The Journal of Chemical PhysicsOpen access

Wavelet formulation of path integral Monte Carlo

Art E. Cho, J. D. Doll, David L. Freeman

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Abstract

A wavelet formulation of path integral Monte Carlo (PIMC) is constructed. Comparison with Fourier path integral Monte Carlo is presented using simple one-dimensional examples. Wavelet path integral Monte Carlo exhibits a few advantages over previous methods for PIMC. The efficiency of the current method is at least comparable to other techniques.

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What this paper is about

A wavelet formulation of path integral Monte Carlo (PIMC) is constructed. Comparison with Fourier path integral Monte Carlo is presented using simple one-dimensional examples. Wavelet path integral Monte Carlo exhibits a few advantages over previous methods for PIMC. The efficiency of the current method is at least comparable to other techniques.

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Available abstract

A wavelet formulation of path integral Monte Carlo (PIMC) is constructed. Comparison with Fourier path integral Monte Carlo is presented using simple one-dimensional examples. Wavelet path integral Monte Carlo exhibits a few advantages over previous methods for PIMC. The efficiency of the current method is at least comparable to other techniques.

Key concepts: Path integral Monte Carlo, Monte Carlo method, Path integral formulation, Monte Carlo molecular modeling, Hybrid Monte Carlo, Monte Carlo method in statistical physics, Monte Carlo integration, Dynamic Monte Carlo method

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