Document Type

Article

Date of Original Version

8-15-2000

Department

Chemistry

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.

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