Improved diffusion Monte Carlo for bosonic systems using time-step extrapolation "on the fly"

Journal of Chemical Physics

Volumn 126, Issue 10, 2007, Pages

  Hkansson, P ^a   Mella, M ^a  

^a CARDIFF UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; DIFFUSION; EXTRAPOLATION; MONTE CARLO METHODS;

POSTERIORI EXTRAPOLATION; REALISTIC SYSTEMS; TIME-STEP EXTRAPOLATION;

REAL TIME CONTROL;

EID: 33947309567     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2647227     Document Type: Article

References (20)

1. J. B. Anderson, J. Chem. Phys. 63, 1499 (1975).
2. P. J. Reynolds, D. M. Ceperley, B. J. Alder, and J. W. A. Lester, J. Chem. Phys. 77, 5593 (1982).
3. M. Suzuki, J. Math. Phys. 26, 601 (1985).
4. S. A. Chin, Phys. Rev. A 42, 6991 (1990).
5. P. E. Kloeden and E. Platen, Numerical Solution of Stochastic Differential Equations (Springer, New York, 1992).
6. H. Kobayashi, N. Hatano, and M. Suzuki, Physica A 250, 535 (1998).
7. P. Hkansson, M. Mella, D. Bressanini, G. Morosi, and M. Patrone, J. Chem. Phys. 125, 184106 (2006).
8. M. H. Kalos, D. Levesque, and L. Verlet, Phys. Rev. A 9, 2178 (1974).
9. K. H. Schmidt, P. Niyaz, A. Vaught, and M. A. Lee, Phys. Rev. E 71, 016707 (2005).
10. H. A. Forbert and S. A. Chin, Phys. Rev. B 63, 144518 (2001).
11. S. Chiesa, M. Mella, G. Morosi, and D. Bressanini, J. Chem. Phys. 119, 5601 (2003).
12. P. E. Koeden, E. Platen, and N. Hofmann, SIAM (Soc. Ind. Appl. Math.) J. Numer. Anal. 32, 1919 (1995).
13. D. Talay and L. Tubaro, Stoch. Anal. Appl. 8, 483 (1990).
14. L. Brualla, K. Sakkos, J. Boronat, and J. Casulleras, J. Chem. Phys. 121, 636 (2004).
15. P. E. Kloeden, E. Platen, and H. Shurz, Numerical Solution of SDE Through Computer Experiments (Springer, New York, 1997).
16. M. Mella, G. Calderoni, and F. Cargnoni, J. Chem. Phys. 123, 054328 (2005).
17. M. Mella and D. C. Clary, J. Chem. Phys. 119, 10048 (2003).
18. S. Baroni and S. Moroni, Phys. Rev. Lett. 82, 4575 (1999).
19. D. M. Ceperley, Rev. Mod. Phys. 67, 2 (1995).
20. E. L. Pollock and D. M. Ceperley, Phys. Rev. B 30, 5 (1984).