Document Type

Article

Date of Original Version

8-15-2000

DOI

10.1063/1.1305743

Abstract

In the present paper we explore the use of generalized Gaussian quadrature methods in the context of equilibrium path integral applications. Using moment techniques, we devise a compact, self-adaptive approach for use in conjunction with selected classes of interaction potentials. We demonstrate that, when applicable, the resulting approach reduces appreciably the number of potential energy evaluations required in equilibrium path integral simulations.

Publisher Statement

© 2000 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Sabo, Dubravko, J. D. Doll and David L. Freeman. ʺSelf-Adaptive Quadrature and Numerical Path Integration.ʺ Journal of Chemical Physics. 113(7):2522-2529. August 15, 2000. and may be found at http://dx.doi.org/10.1063/1.1305743

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