Cyrus Umrigar selected publications

Book

  1. Quantum Monte Carlo Methods in Physics and Chemistry},
    edited by M. P. Nightingale and C. J. Umrigar, NATO ASI Series, Series C, Mathematical and Physical Sciences, Vol. C-525, (Kluwer Academic Publishers, Boston, 1999). Book chapters

Selected Papers

  1. Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions,
    C. J. Umrigar, J. Toulouse, C. Filippi, S. Sorella and R. G. Hennig,
    Phys. Rev. Lett. 98, 110201 (2007). [pdf]

  2. Optimization of quantum Monte Carlo wave functions by energy minimization,
    J. Toulouse, C. J. Umrigar,
    J. Chem. Phys.Phys. 126, 084102 (2007). [pdf]

  3. Questioning the existence of a unique ground-state structure for Si clusters,
    W. Hellmann, R. G. Hennig, S. Goedecker, C. J. Umrigar, B. Delley and T. Lenosky,
    Phys. Rev. B 75, 085411 (2007). [pdf]

  4. Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects,
    E. R. Batista, J. Heyd, R. G. Hennig, B. P. Uberuaga, R. L. Martin, G. E. Scuseria, C. J. Umrigar, and J. W. Wilkins,
    Phys. Rev. B 74, 121102(R) (2006). [pdf]

  5. Electronic structure of intrinsic defects in crystalline germanium telluride
    Peter A. Schultz, Marcus G. Martin, Aidan P. Thompson, and Harold P. Hjalmarson, Cyrus J. Umrigar,
    Phys. Rev. B 74, 045210 (2006). [pdf]

  6. Correlation-induced inhomogeneity in circular quantum dots
    Amit Ghosal, A. D. Guclu,, C. J. Umrigar, Denis Ullmo and Harold U. Baranger,
    Nature Physics 2, 336 (2006). [pdf]

  7. Energy and Variance Optimization of Many-Body Wave Functions
    C. J. Umrigar and Claudia Filippi,
    Phys. Rev. Lett. 94, 150201 (2005). [pdf]

  8. Composite-fermion antiparticle description of the hole excitation in a maximum-density droplet with a small number of electrons,
    Gun Sang Jeon, A. D. Guclu, C. J. Umrigar, and J. K. Jain,
    Phys. Rev. B. 72, 245312 (2005). [pdf]

  9. Quantum Monte Carlo study of composite fermions in quantum dots: The effect of Landau-level mixing,
    A. D. Guclu, Gun Sang Jeon, A. D. Guclu, C. J. Umrigar, and J. K. Jain,
    Phys. Rev. B. 72, 205327 (2005). [pdf]

  10. Maximum-density droplet to lower-density droplet transition in quantum dots,
    A. D. Guclu, C. J. Umrigar,
    Phys. Rev. B. 72, 045309 (2005). [pdf]

  11. Investigation of excitation energies and Hund's rule in open shell quantum dots by diffusion Monte Carlo,
    Colletti, L.; Pederiva, F.; Lipparini, E.; Umrigar, C. J. European Physical Journal B v 27 n 3 2002 p.385-92 [pdf]
  12. Interatomic forces and correlated sampling in quantum Monte Carlo,
    Claudia Filippi and C. J. Umrigar, in "Recent Advances in Quantum Monte Carlo Methods", Part II, pgs. 12-29, edited by W.A.Lester, Jr., S.M. Rothstein, and S. Tanaka (World Scientific, Singapore, 2002). [pdf]
  13. Diffusion Monte Carlo study of circular quantum dots.
    Pederiva, F.; Umrigar, C. J.; Lipparini, E. Physical Review B (Condensed Matter) v 62 n 12 2000 p.8120-5 [pdf] [erratum_pdf]
  14. Correlated sampling in quantum Monte Carlo: A route to forces.
    Filippi, C.; Umrigar, C. J. Physical Review B (Condensed Matter) v 61 n 24 2000 p.R16291-4 [pdf]
  15. Natural Orbital Functional Theory,
    S. Goedecker and C.J. Umrigar, in "Many-electron densities and reduced density matrices", ed. by J. Cioslowski, pgs. 165-181, (Kluwer Academic, Dordrecht, 2000).
  16. Variational Monte Carlo Basics and Applications to Atoms and Molecules,
    C.J. Umrigar, in "Quantum Monte Carlo Methods in Physics and Chemistry", edited by M.~P. Nightingale and C.~J. Umrigar. NATO ASI Series, Series C, Mathematical and Physical Sciences, Vol. C-525, (Kluwer Academic Publishers, Boston, 1999)[ps.gz]
  17. Natural orbital functional for the many-electron problem,
    Goedecker, S.; Umrigar, C. J. Physical Review Letters v 81 n 4 1998 p.866-9 [pdf]
  18. Monte Carlo eigenvalue methods in quantum mechanics and statistical mechanics,
    Nightingale MP, Umrigar CJ. in "Monte Carlo Methods in Chemical Physics", Advances in Chemical Physics v 105 1999 p.65-115
  19. Evidence of physical reality in the Kohn-Sham potential: The case of atomic Ne,
    Al-Sharif, A. I.; Resta, R.; Umrigar, C. J. Physical Review A (Atomic, Molecular, and Optical Physics) v 57 n 4 1998 p.2466-9
  20. Spin contamination in quantum Monte Carlo wave functions,
    Chien-Jung Huang; Filippi, C.; Umrigar, C. J. Journal of Chemical Physics v 108 n 21 1998 p.8838-47 [pdf]
  21. Relationship of Kohn-Sham eigenvalues to excitation energies,
    Savin, A.; Umrigar, C. J.; Gonze, X. Chemical Physics Letters v 288 n 2-4 1998 p.391-5 [pdf]
  22. Excitation energies from density functional perturbation theory,
    Filippi, C.; Umrigar, C. J.; Xavier Gonze Journal of Chemical Physics v 107 n 23 1997 p.9994-10002 [pdf]
  23. Are Kohn-Sham eigenvalues related to excitation energies?,
    C. J. Umrigar, A. Savin and Xavier Gonze, in "Electronic Density Functional Theory: Recent Progress and New Directions", Eds J. F. Dobson, G. Vignale and M. P. Das, (Plenum, N.Y., 1997). [pdf]
  24. Accuracy of electronic wave functions in quantum Monte Carlo: the effect of high-order correlations,
    Chien-Jung Huang; Umrigar, C. J.; Nightingale, M. P. Journal of Chemical Physics v 107 n 8 1997 p.3007-13 [pdf]
  25. Local correlation energies of two-electron atoms and model systems,
    Chien-Jung Huang; Umrigar, C. J. Physical Review A (Atomic, Molecular, and Optical Physics) v 56 n 1 1997 p.290-6 [pdf]
  26. Critical assessment of the self-interaction-corrected-local-density-functional method and its algorithmic implementation,
    Goedecker, S.; Umrigar, C. J. Physical Review A (Atomic, Molecular, and Optical Physics) v 55 n 3 1997 p.1765-71 [pdf]
  27. Separation of the exchange-correlation potential into exchange plus correlation: an optimized effective potential approach,
    Filippi, C.; Umrigar, C. J.; Gonze, X. Physical Review A (Atomic, Molecular, and Optical Physics) v 54 n 6 1996 p.4810-14 [pdf]
  28. Monte Carlo Optimization of Trial Wave Functions in Quantum Mechanics and Statistical Mechanics,
    M.P. Nightingale and C.J. Umrigar, in "Recent Advances in Quantum Monte Carlo Methods", edited by W.A. Lester, Jr., (World Scientific, Singapore, 1996).
  29. Generalized gradient approximations to density functional theory: comparison with exact results,
    Claudia Filippi, Xavier Gonze and C. J. Umrigar, published in "Recent Developments and Applications of Density Functional Theory", edited by J.~M.~Seminario, (Elsevier, Amsterdam, 1996). [pdf]
  30. Multiconfiguration wave functions for quantum Monte Carlo calculations of first-row diatomic molecules,
    Filippi, C.; Umrigar, C. J. Journal of Chemical Physics v 105 n 1 1996 p.213-26 [pdf]
  31. All-electron study of gradient corrections to the local-density functional in metallic systems,
    Khein, A.; Singh, D. J.; Umrigar, C. J. Physical Review B (Condensed Matter) v 51 n 7 1995 p.4105-9 [pdf]
  32. Electron intracule densities with correct electron coalescence cusps from hiller-sucher-feinberg-type identities,
    Cioslowski J., Stefanov B.B., Tan A., Umrigar C.J. Journal of Chemical Physics v 103 no 14 1995 p.6093-6103 [pdf]
  33. All-electron local-density and generalized-gradient calculations of the structural properties of semiconductors,
    Filippi, C.; Singh, D. J.; Umrigar, C. J. Physical Review B (Condensed Matter) v 50 n 20 1994 p.14947-51 [pdf]
  34. Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series,
    Umrigar, C. J.; Gonze, X. Physical Review A (Atomic, Molecular, and Optical Physics) v 50 n 5 1994 p.3827-37 [pdf]
  35. Comparison of exact and approximate density functionals for an exactly soluble model,
    Filippi, C.; Umrigar, C. J.; Taut, M. Journal of Chemical Physics v 100 n 2 1994 p.1290-6 [pdf]
  36. A diffusion Monte Carlo algorithm with very small time-step errors,
    Umrigar, C. J.; Nightingale, M. P.; Runge, K. J. Journal of Chemical Physics v 99 n 4 1993 p.2865-90 [pdf]
  37. Accelerated Metropolis method,
    Umrigar, C. J. Physical Review Letters v 71 n 3 1993 p.408-11 [pdf]
  38. Energies, densities, and pair correlation functions of jellium spheres by the variational Monte Carlo method,
    Ballone, P.; Umrigar, C. J.; Delaly, P. Physical Review B (Condensed Matter) v 45 n 11 1992 p.6293-6
  39. Fock's expansion, Kato's cusp conditions, and the exponential ansatz,
    Myers, C. R.; Umrigar, C. J.; Sethna, J. P.; Morgan, J. D. , III Physical Review A (Atomic, Molecular, and Optical Physics) v 44 n 9 1991 p.5537-46 [pdf]
  40. Two aspects of quantum Monte Carlo: determination of accurate wavefunctions and determination of potential energy surfaces of molecules,
    Umrigar, C. J. International Journal of Quantum Chemistry, Quantum Chemistry Symposia International Symposium on Quantum Chemistry, Solid-State Theory and Molecular Dynamics n 23 1989 p.217-30
  41. A Method for Determining Many-Body Wavefunctions,
    C.J. Umrigar, K.G. Wilson and J.W. Wilkins, "Computer Simulation Studies in Condensed Matter Physics: Recent Developments", ed. by D.P. Landau, K.K. Mon and H.B. Schuttler (Springer-Verlag 1988).
  42. Optimized trial wave functions for quantum Monte Carlo calculations,
    Umrigar, C. J.; Wilson, K. G.; Wilkins, J. W. Physical Review Letters v 60 n 17 1988 p.1719-22 [pdf]
  43. Improved Monte Carlo renormalization group method,
    Rajan Gupta, K. G. Wilson, and C. Umrigar, J. Stat. Phys. 43, 1095 (1986) [pdf]
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