Twist-averaged boundary conditions in continuum quantum Monte Carlo algorithms.

@article{Lin2001TwistaveragedBC,
  title={Twist-averaged boundary conditions in continuum quantum Monte Carlo algorithms.},
  author={Che Lin and F H Zong and David M. Ceperley},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  year={2001},
  volume={64 1 Pt 2},
  pages={016702}
}
We develop and test Quantum Monte Carlo algorithms that use a"twist" or a phase in the wave function for fermions in periodic boundary conditions. For metallic systems, averaging over the twist results in faster convergence to the thermodynamic limit than periodic boundary conditions for properties involving the kinetic energy and has the same computational complexity. We determine exponents for the rate of convergence to the thermodynamic limit for the components of the energy of coulomb… CONTINUE READING
23 Citations
17 References
Similar Papers

Citations

Publications citing this paper.
Showing 1-10 of 23 extracted citations

References

Publications referenced by this paper.
Showing 1-10 of 17 references

Phys. Rev. Lett. Quantum Monte Carlo Methods in Physics and Chemistry

  • S Moroni, D M Ceperley, G Senatore
  • Phys. Rev. Lett. Quantum Monte Carlo Methods in…
  • 1999

Phys. B: Condens. Matter Phys. Rev. B

  • C Gros
  • Phys. B: Condens. Matter Phys. Rev. B
  • 1992

Density Functional Theory: An Approach to the Many-body Problem ͑Springer

  • M Dreizler, E K U Gross
  • Density Functional Theory: An Approach to the…
  • 1990

Phys. Rev. Lett. Phys. Rev. B

  • G Rajagopal, R J Needs, S Kenny, W M C Foulkes, A James
  • Phys. Rev. Lett. Phys. Rev. B
  • 1959

Int. J. Quantum Chem

  • B J Alder, D M Ceperley, E L Pollock
  • Int. J. Quantum Chem

J. Chem. Phys. Phys. Rev. B

  • D Ceperley, B J Alder
  • J. Chem. Phys. Phys. Rev. B

J. Comput. Phys

  • V Natoli, D M Ceperley
  • J. Comput. Phys

Phys. Rev

  • P Hohenberg, W Kohn
  • Phys. Rev

Phys. Rev. B

  • X P Li, R J Needs, R M Martin, D M Ceperley
  • Phys. Rev. B

Phys. Rev. Lett

  • M Parrinello, A Rahman
  • Phys. Rev. Lett

Similar Papers

Loading similar papers…