Highly optimized fourth-order short-time approximation for pathintegrals

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We derive a fourth-order short-time approximation for use in imaginary-time path-integral simulations. The short-time approximation converges for all continuous and bounded from below potentials, attains quartic order of convergence for sufficiently smooth potentials, and utilizes statistically independent random variables for its construction. These properties recommend the approximation as a natural replacement of the trapezoidal Trotter-Suzuki approximation for physical systems with continuous distributions.

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Predescu, Cristian October 1, 2006.

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Description

We derive a fourth-order short-time approximation for use in imaginary-time path-integral simulations. The short-time approximation converges for all continuous and bounded from below potentials, attains quartic order of convergence for sufficiently smooth potentials, and utilizes statistically independent random variables for its construction. These properties recommend the approximation as a natural replacement of the trapezoidal Trotter-Suzuki approximation for physical systems with continuous distributions.

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  • Journal Name: Journal of Physical Chemistry; Journal Volume: 110; Journal Issue: 2; Related Information: Journal Publication Date: 2006

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  • Report No.: LBNL--62198
  • Grant Number: DE-AC02-05CH11231
  • Grant Number: NSF:CHE-0345280
  • DOI: 10.1021/jp055598h | External Link
  • Office of Scientific & Technical Information Report Number: 902458
  • Archival Resource Key: ark:/67531/metadc882015

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  • October 1, 2006

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  • Sept. 22, 2016, 2:13 a.m.

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  • Sept. 29, 2016, 8:36 p.m.

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Predescu, Cristian. Highly optimized fourth-order short-time approximation for pathintegrals, article, October 1, 2006; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc882015/: accessed August 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.