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The partial averaging Fourier path Integral approach based on the harmonic reference path
Authors:Jenn-Kang Hwang
Institution:(1) Department of Life Sciences, National Tsing Hua University, HsinChu 30034, Taiwan, TW
Abstract:The Monte Carlo Fourier path integral approach has proved to be quite useful in calculating equilibrium thermodynamic properties. One of its advantages is that it can be formulated in such a way as to include higher order terms using the partial averaging technique, which includes the contribution from higher terms usually neglected by the discretized path integral approach. In the original approach, the Feynman path integral is evaluated via a free-particle reference state. Here, using a new expression for the Feynman paths expanded around a harmonic reference path, we derive an alternative formulation for the density matrix element and its corresponding partial averaging expression. Received: 16 September 1998 / Accepted: 30 October 1998 / Published online: 1 February 1999
Keywords:: Path integral  Free energy
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