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Cyrus Umrigar, PhD - Publications

Affiliations: 
Physics Cornell University, Ithaca, NY, United States 
Area:
Quantum Monte Carlo, Electronic Structure Theory
Website:
http://www.physics.cornell.edu/people/faculty/?page=website/faculty&action=show/id=48
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51 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Eriksen JJ, Anderson TA, Deustua JE, Ghanem K, Hait D, Hoffmann MR, Lee S, Levine DS, Magoulas I, Shen J, Tubman NM, Whaley KB, Xu E, Yao Y, Zhang N, ... ... Umrigar CJ, et al. The Ground State Electronic Energy of Benzene. The Journal of Physical Chemistry Letters. 8922-8929. PMID 33022176 DOI: 10.1021/acs.jpclett.0c02621  0.324
2020 Yao Y, Giner E, Li J, Toulouse J, Umrigar CJ. Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method. The Journal of Chemical Physics. 153: 124117. PMID 33003731 DOI: 10.1063/5.0018577  0.571
2020 Li J, Yao Y, Holmes AA, Otten M, Sun Q, Sharma S, Umrigar CJ. Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer Physical Review Research. 2. DOI: 10.1103/Physrevresearch.2.012015  0.31
2016 Holmes AA, Changlani HJ, Umrigar CJ. Efficient Heat-Bath Sampling in Fock Space. Journal of Chemical Theory and Computation. PMID 26959242 DOI: 10.1021/Acs.Jctc.5B01170  0.713
2015 Parker WD, Umrigar CJ, Alfè D, Petruzielo FR, Hennig RG, Wilkins JW. Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations Journal of Computational Physics. 287: 77-87. DOI: 10.1016/J.Jcp.2015.01.037  0.763
2015 Toulouse J, Assaraf R, Umrigar CJ. Introduction to the Variational and Diffusion Monte Carlo Methods Advances in Quantum Chemistry. DOI: 10.1016/Bs.Aiq.2015.07.003  0.606
2014 Mirtschink A, Umrigar CJ, Morgan JD, Gori-Giorgi P. Energy density functionals from the strong-coupling limit applied to the anions of the He isoelectronic series. The Journal of Chemical Physics. 140: 18A532. PMID 24832340 DOI: 10.1063/1.4871018  0.35
2013 Mehta AC, Umrigar CJ, Meyer JS, Baranger HU. Zigzag phase transition in quantum wires. Physical Review Letters. 110: 246802. PMID 25165952 DOI: 10.1103/Physrevlett.110.246802  0.699
2012 Petruzielo FR, Holmes AA, Changlani HJ, Nightingale MP, Umrigar CJ. Semistochastic projector Monte Carlo method. Physical Review Letters. 109: 230201. PMID 23368167 DOI: 10.1103/Physrevlett.109.230201  0.753
2012 Petruzielo FR, Toulouse J, Umrigar CJ. Approaching chemical accuracy with quantum Monte Carlo. The Journal of Chemical Physics. 136: 124116. PMID 22462844 DOI: 10.1063/1.3697846  0.773
2012 Petruzielo FR, Holmes AA, Changlani HJ, Nightingale MP, Umrigar CJ. Semistochastic projector monte carlo method Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.230201  0.739
2012 Reinhardt P, Toulouse J, Assaraf R, Umrigar CJ, Hoggan PE. Quantum monte carlo facing the hartree-fock symmetry dilemma: The case of hydrogen rings Acs Symposium Series. 1094: 53-63. DOI: 10.1021/bk-2012-1094.ch005  0.525
2011 Braïda B, Toulouse J, Caffarel M, Umrigar CJ. Quantum Monte Carlo with Jastrow-valence-bond wave functions. The Journal of Chemical Physics. 134: 084108. PMID 21361528 DOI: 10.1063/1.3555821  0.558
2011 Petruzielo FR, Toulouse J, Umrigar CJ. Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials. The Journal of Chemical Physics. 134: 064104. PMID 21322658 DOI: 10.1063/1.3551512  0.769
2010 Petruzielo FR, Toulouse J, Umrigar CJ. Compact and flexible basis functions for quantum Monte Carlo calculations. The Journal of Chemical Physics. 132: 094109. PMID 20210391 DOI: 10.1063/1.3342062  0.786
2010 Hennig RG, Wadehra A, Driver KP, Parker WD, Umrigar CJ, Wilkins JW. Phase transformation in Si from semiconducting diamond to metallicβ-Snphase in QMC and DFT under hydrostatic and anisotropic stress Physical Review B. 82. DOI: 10.1103/Physrevb.82.014101  0.721
2010 Ghasemi SA, Amsler M, Hennig RG, Roy S, Goedecker S, Lenosky TJ, Umrigar CJ, Genovese L, Morishita T, Nishio K. Energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods, and quantum Monte Carlo methods Physical Review B. 81. DOI: 10.1103/Physrevb.81.214107  0.796
2009 Zimmerman PM, Toulouse J, Zhang Z, Musgrave CB, Umrigar CJ. Excited states of methylene from quantum Monte Carlo. The Journal of Chemical Physics. 131: 124103. PMID 19791848 DOI: 10.1063/1.3220671  0.57
2009 Changlani HJ, Kinder JM, Umrigar CJ, Chan GKL. Approximating strongly correlated wave functions with correlator product states Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.245116  0.691
2009 Güçlü AD, Umrigar CJ, Jiang H, Baranger HU. Localization in an inhomogeneous quantum wire Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.201302  0.577
2009 Umrigar CJ. Two aspects of quantum monte carlo: Determination of accurate wavefunctions and determination of potential energy surfaces of molecules International Journal of Quantum Chemistry. 36: 217-230. DOI: 10.1002/QUA.560360826  0.317
2008 Toulouse J, Umrigar CJ. Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules. The Journal of Chemical Physics. 128: 174101. PMID 18465904 DOI: 10.1063/1.2908237  0.608
2008 Güçlü AD, Ghosal A, Umrigar CJ, Baranger HU. Interaction-induced strong localization in quantum dots Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.041301  0.599
2008 Esler KP, Kim J, Ceperley DM, Purwanto W, Walter EJ, Krakauer H, Zhang S, Kent PRC, Hennig G, Umrigar C, Bajdich M, Koloren? J, Mitas L, Srinivasan A. Quantum Monte Carlo algorithms for electronic structure at the petascale; The Endstation project Journal of Physics: Conference Series. 125. DOI: 10.1088/1742-6596/125/1/012057  0.656
2008 Lawson JW, Bauschlicher CW, Toulouse J, Filippi C, Umrigar CJ. Quantum Monte Carlo study of the cooperative binding of NO2 to fragment models of carbon nanotubes Chemical Physics Letters. 466: 170-175. DOI: 10.1016/J.Cplett.2008.10.066  0.587
2007 Toulouse J, Assaraf R, Umrigar CJ. Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density. The Journal of Chemical Physics. 126: 244112. PMID 17614542 DOI: 10.1063/1.2746029  0.616
2007 Umrigar CJ, Toulouse J, Filippi C, Sorella S, Hennig RG. Alleviation of the Fermion-sign problem by optimization of many-body wave functions. Physical Review Letters. 98: 110201. PMID 17501026 DOI: 10.1103/Physrevlett.98.110201  0.706
2007 Toulouse J, Umrigar CJ. Optimization of quantum Monte Carlo wave functions by energy minimization. The Journal of Chemical Physics. 126: 084102. PMID 17343435 DOI: 10.1063/1.2437215  0.608
2007 Umrigar CJ, Toulouse J, Filippi C, Sorella S, Hennig RG. Erratum: Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions [Phys. Rev. Lett.98, 110201 (2007)] Physical Review Letters. 99. DOI: 10.1103/Physrevlett.99.179902  0.633
2007 Hellmann W, Hennig RG, Goedecker S, Umrigar CJ, Delley B, Lenosky T. Erratum: Questioning the existence of a unique ground-state structure for Si clusters [Phys. Rev. B75, 085411 (2007)] Physical Review B. 76. DOI: 10.1103/physrevb.76.159903  0.638
2007 Ghosal A, Güçlü AD, Umrigar CJ, Ullmo D, Baranger HU. Incipient Wigner localization in circular quantum dots Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.085341  0.599
2007 Hellmann W, Hennig RG, Goedecker S, Umrigar CJ, Delley B, Lenosky T. Questioning the existence of a unique ground-state structure for Si clusters Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.085411  0.683
2007 Colletti L, Pederiva F, Lipparini E, Umrigar CJ. Spin- and charge-density excitations in quantum dots via Quantum Monte Carlo simulation Physica Status Solidi (B). 244: 2317-2321. DOI: 10.1002/Pssb.200674605  0.403
2006 Batista ER, Heyd J, Hennig RG, Uberuaga BP, Martin RL, Scuseria GE, Umrigar CJ, Wilkins JW. Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.121102  0.683
2006 Ghosal A, Güçlü AD, Umrigar CJ, Ullmo D, Baranger HU. Correlation-induced inhomogeneity in circular quantum dots Nature Physics. 2: 336-340. DOI: 10.1038/Nphys293  0.582
2005 Umrigar CJ, Filippi C. Energy and variance optimization of many-body wave functions. Physical Review Letters. 94: 150201. PMID 15904123  0.308
2005 Güçlü AD, Jeon GS, Umrigar CJ, Jain JK. Quantum Monte Carlo study of composite fermions in quantum dots: The effect of Landau-level mixing Physical Review B. 72. DOI: 10.1103/Physrevb.72.205327  0.339
2005 Ghosal A, Umrigar CJ, Jiang H, Ullmo D, Baranger HU. Interaction effects in the mesoscopic regime: A quantum Monte Carlo study of irregular quantum dots Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.241306  0.614
2002 Colletti L, Pederiva F, Lipparini E, Umrigar C. Investigation of excitation energies and Hund's rule in open shell quantum dots by diffusion Monte Carlo The European Physical Journal B - Condensed Matter. 27: 385-392. DOI: 10.1140/Epjb/E2002-00169-X  0.373
2000 Pederiva F, Umrigar CJ, Lipparini E. Diffusion Monte Carlo study of circular quantum dots Physical Review B. 62: 8120-8125. DOI: 10.1103/Physrevb.62.8120  0.405
1998 Goedecker S, Umrigar CJ. Natural Orbital Functional for the Many-Electron Problem Physical Review Letters. 81: 866-869. DOI: 10.1103/Physrevlett.81.866  0.598
1997 Goedecker S, Umrigar CJ. Critical assessment of the self-interaction-corrected–local-density-functional method and its algorithmic implementation Physical Review A. 55: 1765-1771. DOI: 10.1103/Physreva.55.1765  0.62
1996 Filippi C, Umrigar CJ. Multiconfiguration wave functions for quantum Monte Carlo calculations of first‐row diatomic molecules The Journal of Chemical Physics. 105: 213-226. DOI: 10.1063/1.471865  0.361
1994 Umrigar CJ, Gonze X. Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series. Physical Review. A. 50: 3827-3837. PMID 9911351 DOI: 10.1103/Physreva.50.3827  0.302
1992 Ballone P, Umrigar CJ, Delaly P. Energies, densities, and pair correlation functions of jellium spheres by the variational Monte Carlo method. Physical Review. B, Condensed Matter. 45: 6293-6296. PMID 10000383  0.342
1988 Umrigar CJ, Wilson KG, Wilkins JW. Optimized trial wave functions for quantum Monte Carlo calculations. Physical Review Letters. 60: 1719-1722. PMID 10038122 DOI: 10.1103/Physrevlett.60.1719  0.61
1986 Karikorpi M, Manninen M, Umrigar C. Calculation of helium diffraction from metal surfaces Surface Science. 169: 299-316. DOI: 10.1016/0039-6028(86)90612-6  0.39
1986 Gupta R, Wilson KG, Umrigar C. Improved Monte Carlo renormalization group method Journal of Statistical Physics. 43: 1095-1099. DOI: 10.1007/Bf02628333  0.365
1985 Umrigar C, Wilkins JW. Adsorption site, adsorption energy and normal vibration frequency of H on Ni(100) via total-energy calculations. Physical Review Letters. 54: 1551-1554. PMID 10031068 DOI: 10.1103/Physrevlett.54.1551  0.526
1984 Manninen M, Nørskov JK, Puska MJ, Umrigar C. Repulsive interaction of the helium atom with a metal surface Physical Review B. 29: 2314-2316. DOI: 10.1103/Physrevb.29.2314  0.368
1982 Manninen M, Nørskov J, Umrigar C. Calculation of the helium diffraction from the reconstructed Au(110) surface Surface Science Letters. 119: L393-L400. DOI: 10.1016/0167-2584(82)90260-2  0.303
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