Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Time step bias improvement in diffusion monte carlo simulations

Mella1, Morosi, Bressanini

  • 1Dipartimento di Chimica Fisica ed Elettrochimica, Universita degli Studi di Milano, via Golgi 19, 20133 Milano, Italy.

Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
|October 25, 2000
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Photochemical alkylation of ketene dithioacetal S,S-dioxides. An example of captodative olefin functionalization

The Journal of organic chemistry·2000
Same author

Squeezing versus photon-number fluctuations.

Physical review. D, Particles and fields·1987
See all related articles

The improved split-operator propagator is most accurate for simulating boson systems using diffusion Monte Carlo. This method efficiently reduces time step bias, enhancing overall algorithm performance.

Area of Science:

  • Quantum mechanics
  • Computational physics
  • Many-body systems

Background:

  • Diffusion Monte Carlo (DMC) is a powerful method for simulating quantum systems.
  • Accurate representation of the system's propagator is crucial for DMC efficiency.
  • Existing approximations like the Makri-Miller and Trotter formulas have limitations.

Purpose of the Study:

  • To implement and compare the Makri-Miller approximation and the improved split-operator propagator within the DMC method.
  • To evaluate the accuracy and efficiency of these propagators for boson systems.
  • To analyze the time step bias of different propagators.

Main Methods:

  • Implementation of Makri-Miller and improved split-operator propagators in DMC.
  • Analytical calculation of time step bias for harmonic oscillators.

Related Experiment Videos

  • Numerical simulations on one- and three-dimensional boson systems.
  • Comparison with Trotter formula and importance sampling techniques.

    • Main Results:

    • The improved split-operator propagator demonstrates higher accuracy compared to the Makri-Miller approximation and Trotter formula.
    • Analytical results for the harmonic oscillator confirm the superiority of the improved split-operator propagator.
    • Simulations show significant reduction in time step bias using the improved split-operator propagator.
    • Enhanced efficiency of the DMC algorithm is achieved.

    Conclusions:

    • The improved split-operator propagator is the most accurate and efficient for simulating boson systems with DMC.
    • This propagator effectively minimizes time step bias, leading to improved computational performance.
    • The findings provide a more robust approach for quantum system simulations.