Applications of higher order composite factorization schemes in imaginary time path integral simulations

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Abstract

An attempt is made to demonstrate that the GSF algorithm is almost as easily implemented as the PF algorithm and can yield significant improvements in the convergence of imaginary time path integral simulations as the function of the number of discretizations P. The three scenarios where the GSF algorithm can be especially useful are highlighted. It is also shown that the algorithm has a free parameter αε[0,1].

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APA

Jang, S., & Voth, G. A. (2001). Applications of higher order composite factorization schemes in imaginary time path integral simulations. Journal of Chemical Physics, 115(17), 7832–7842. https://doi.org/10.1063/1.1410117

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