Strategies for improving the efficiency of quantum Monte Carlo calculations

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 83, Issue 6, 2011, Pages

  Lee, R M ^a   Conduit, G J ^b,c   Nemec, N ^a,d   Lopez Rios P ^a   Drummond, N D ^a,e  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^c BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

^d UNIVERSITY COLLEGE LONDON   (United Kingdom)

^e LANCASTER UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BLOCK LENGTHS; CORRELATION LENGTHS; DATA SETS; DIFFUSION MONTE CARLO; LINEAR EXTRAPOLATION; QUANTUM MONTE CARLO CALCULATIONS; SAMPLING ALGORITHM; SERIAL CORRELATION; STATISTICAL UNCERTAINTY; TIME STEP; VARIATIONAL MONTE CARLO METHOD; ZERO TIME;

EFFICIENCY; MONTE CARLO METHODS; UNCERTAINTY ANALYSIS;

QUANTUM EFFICIENCY;

EID: 79961065151     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.83.066706     Document Type: Article

References (24)

1. W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.33 73, 33 (2001).
2. R. J. Needs, M. D. Towler, N. D. Drummond, and P. López Ríos, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/2/ 023201 22, 023201 (2010).
3. T. Kato, Commun. Pure Appl. Math. JCOMEL 0010-3640 10.1002/cpa.3160100201 10, 151 (1957).
4. R. J. Needs, M. D. Towler, N. D. Drummond, and P. López Ríos, casino User's Guide, version 3.0.0 (University of Cambridge, Cambridge, UK, 2009).
5. C. J. Umrigar, M. P. Nightingale, and K. J. Runge, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.465195 99, 2865 (1993).
6. U. Wolff, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(03) 00467-3 156, 143 (2004).
7. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1699114 21, 1087 (1953).
8. M. Dewing, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1311288 113, 5123 (2000).
9. C. J. Umrigar, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.71. 408 71, 408 (1993).
10. M. L. Stedman, W. M. C. Foulkes, and M. Nekovee, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476862 109, 2630 (1998). (Pubitemid 128678154)
11. D. Ceperley, G. V. Chester, and M. H. Kalos, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.16.3081 16, 3081 (1977).
12. N. D. Drummond, Ph.D. thesis, University of Cambridge, UK, 2004.
13. N. D. Drummond, M. D. Towler, and R. J. Needs, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.70.235119 70, 235119 (2004). (Pubitemid 40270736)
14. Y. Kwon, D. M. Ceperley, and R. M. Martin, Phys. Rev. B JCPSA6 1098-0121 10.1103/PhysRevB.48.12037 48, 12037 (1993).
15. P. López Ríos, A. Ma, N. D. Drummond, M. D. Towler, and R. J. Needs, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.74.066701 74, 066701 (2006). (Pubitemid 44958110)
16. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
17. H. Flyvbjerg and H. G. Petersen, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.457480 91, 461 (1989).
18. J. Shao and D. Tu, The Jackknife and Bootstrap, Springer Series in Statistics (Springer Verlag, Berlin, 1995).
19. M. Chernick, Bootstrap Methods: A Guide for Practitioners and Researchers, Wiley series in probability and statistics (Wiley Interscience, New York, 2008).
20. D. R. Kent, IV, R. P. Muller, A. G. Anderson, W. A. Goddard III, and M. T. Feldmann, J. Comput. Chem. JCCHDD 0192-8651 10.1002/jcc.20746 28, 2309 (2007). (Pubitemid 47389142)
21. W. Cochran, in Mathematical Proceedings of the Cambridge Philosophical Society (Cambridge University Press, 1934), Vol. 30, pp. 178-191.
22. R. C. Geary, Suppl. J. R. Stat. Soc. JCCHDD 1466-6162 10.2307/2983669 3, 178 (1936).
23. D. D. Boos and J. M. Hughes-Oliver, Am. Stat. ASTAAJ 0003-1305 10.2307/2685927 52, 218 (1998).
24. J. R. Trail, Phys. Rev. E PLEEE8 1539-3755 10.1103/PhysRevE.77.016703 77, 016703 (2008). (Pubitemid 351388532)