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Fast algorithms of bath calculations in simulations of quantum system-bath dynamics

Publication ,  Journal Article
Cai, Z; Lu, J; Yang, S
Published in: Computer Physics Communications
September 1, 2022

We present fast algorithms for the summation of Dyson series and the inchworm Monte Carlo method for quantum systems that are coupled with harmonic baths. The algorithms are based on evolving the integro-differential equations where the most expensive part comes from the computation of bath influence functionals. To accelerate the computation, we design fast algorithms based on reusing the bath influence functionals computed in the previous time steps to reduce the number of calculations. It is proven that the proposed fast algorithms reduce the number of such calculations by a factor of O(N), where N is the total number of time steps. Numerical experiments are carried out to show the efficiency of the method and to verify the theoretical results.

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Published In

Computer Physics Communications

DOI

ISSN

0010-4655

Publication Date

September 1, 2022

Volume

278

Related Subject Headings

  • Nuclear & Particles Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 46 Information and computing sciences
  • 08 Information and Computing Sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

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Cai, Z., Lu, J., & Yang, S. (2022). Fast algorithms of bath calculations in simulations of quantum system-bath dynamics. Computer Physics Communications, 278. https://doi.org/10.1016/j.cpc.2022.108417
Cai, Z., J. Lu, and S. Yang. “Fast algorithms of bath calculations in simulations of quantum system-bath dynamics.” Computer Physics Communications 278 (September 1, 2022). https://doi.org/10.1016/j.cpc.2022.108417.
Cai Z, Lu J, Yang S. Fast algorithms of bath calculations in simulations of quantum system-bath dynamics. Computer Physics Communications. 2022 Sep 1;278.
Cai, Z., et al. “Fast algorithms of bath calculations in simulations of quantum system-bath dynamics.” Computer Physics Communications, vol. 278, Sept. 2022. Scopus, doi:10.1016/j.cpc.2022.108417.
Cai Z, Lu J, Yang S. Fast algorithms of bath calculations in simulations of quantum system-bath dynamics. Computer Physics Communications. 2022 Sep 1;278.
Journal cover image

Published In

Computer Physics Communications

DOI

ISSN

0010-4655

Publication Date

September 1, 2022

Volume

278

Related Subject Headings

  • Nuclear & Particles Physics
  • 51 Physical sciences
  • 49 Mathematical sciences
  • 46 Information and computing sciences
  • 08 Information and Computing Sciences
  • 02 Physical Sciences
  • 01 Mathematical Sciences