Lecture 3: The Wigner Monte Carlo Method for Density Functional Theory

By Jean Michel D Sellier

Bulgarian Academy of Sciences, Sofia, Bulgaria

Published on

Abstract

In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method in the framework of density functional theory (DFT).

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Bio

Dr. Sellier is Associate Professor at the Bulgarian Academy of Sciences.

Credits

The video has been recorded and edited by Kristina Kapanova, IICT, BAS.

Sponsored by

This is part of a series of lectures on the Wigner formalism and the Wigner Monte Carlo method based on signed particles. These lectures have been recorded in the academic year 2014/2015 at the Bulgarian Academy of Sciences (BAS), Institute of Information and Communication Technologies (IICT).

References

J.M. Sellier, I. Dimov, A Wigner Monte Carlo approach to density functional theory, Journal of Computational Physics (2014), http://dx.doi.org/10.1016/j.jcp.2014.03.065

Cite this work

Researchers should cite this work as follows:

  • Jean Michel D Sellier (2014), "Lecture 3: The Wigner Monte Carlo Method for Density Functional Theory ," https://nanohub.org/resources/21700.

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Lecture 3: The Wigner Monte Carlo Method for Density Functional Theory
  • Lecture 3: The Wigner Monte Carlo method for Density Functional Theory 1. Lecture 3: The Wigner Monte Ca… 0
    00:00/00:00
  • Electronic structure of matter 2. Electronic structure of matter 18.151484818151484
    00:00/00:00
  • Inhomogeneous Electron Gas 3. Inhomogeneous Electron Gas 52.552552552552555
    00:00/00:00
  • The Kohn-Sham system 4. The Kohn-Sham system 142.37570904237572
    00:00/00:00
  • Exchange-Correlation functional 5. Exchange-Correlation functiona… 204.004004004004
    00:00/00:00
  • Wigner-Weyl transform 6. Wigner-Weyl transform 302.30230230230234
    00:00/00:00
  • DFT in the Wigner formalism 7. DFT in the Wigner formalism 324.82482482482482
    00:00/00:00
  • Applications 8. Applications 441.94194194194193
    00:00/00:00
  • The lithium atom (3e) 9. The lithium atom (3e) 576.67667667667672
    00:00/00:00
  • Lithium atom 10. Lithium atom 625.95929262595928
    00:00/00:00
  • The boron atom (5e) 11. The boron atom (5e) 681.48148148148152
    00:00/00:00
  • The H2 molecule 12. The H2 molecule 771.10443777110447
    00:00/00:00
  • The H2 molecule 13. The H2 molecule 823.55689022355693
    00:00/00:00
  • The H2 molecule 14. The H2 molecule 856.08942275608945
    00:00/00:00
  • The H2 molecule 15. The H2 molecule 916.58324991658333
    00:00/00:00