Variance-minimization scheme for optimizing Jastrow factors

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 8, 2005, Pages

  Drummond, N D ^a   Needs, R J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33644953584     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.085124     Document Type: Article

References (12)

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. C. J. Umrigar, K. G. Wilson, and J. W. Wilkins, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.60.1719 60, 1719 (1988).
3. P. R. C. Kent, R. J. Needs, and G. Rajagopal, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.12344 59, 12344 (1999).
4. R. J. Needs, M. D. Towler, N. D. Drummond, and P. R. C. Kent, CASINO version 1.7 User Manual (University of Cambridge, Cambridge, England 2003).
5. N. D. Drummond, M. D. Towler, and R. J. Needs, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.235119 70, 235119 (2004).
6. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in Fortran 77, 2nd ed. (Cambridge University Press, Cambridge, England 1992).
7. Y. Lee, Ph.D. thesis, University of Cambridge, Cambridge, England 2002.
8. By a "high-quality" Jastrow factor, we mean a flexible Jastrow factor that can be successfully optimized by variance minimization (i.e., not over-parametrized).
9. P. Lopez Rios, (private communication).
10. C. Filippi and C. J. Umrigar, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471865 105, 213 (1996).
11. A. J. Williamson, R. Q. Hood, and J. C. Grossman, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.246406 87, 246406 (2001).
12. The variance, which is the quantity estimated in a reweighted QMC variance-minimization calculation, can be calculated exactly for this model system. So we simply refer to "variance minimization" rather than "reweighted variance minimization."