C. J. Umrigar

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Julien ToulouseLaboratoire de Chimie Théorique, Sorbonne Université & CNRS, IUF, Paris, FranceVerified email at lct.jussieu.fr
A. Devrim GüçlüIzmir Institute of TechnologyVerified email at iyte.edu.tr
Harold U BarangerDuke UniversityVerified email at phy.duke.edu
Xavier GonzeProfessor of Computational Material Science (UCLouvain, Belgium)Verified email at uclouvain.be
Adam A HolmesVirginia TechVerified email at cornell.edu
Sandeep SharmaUniversity of Colorado, BoulderVerified email at colorado.edu
Garnet Kin-Lic ChanDivision of Chemistry and Chemical Engineering, California Institute of TechnologyVerified email at caltech.edu
Stefan GoedeckerUniversity of Basel, SwitzerlandVerified email at unibas.ch
Hitesh J ChanglaniAssistant Professor, Florida State University and National High Magnetic Field LaboratoryVerified email at magnet.fsu.edu
Amit GhosalIndian Institute of Science Education and Research KolkataVerified email at iiserkol.ac.in
Francesco PederivaUniversity of Trento, Physics Department, and INFN-TIFPAVerified email at unitn.it
sandro sorellaSISSA- International School of Advanced Studies DEMOCRITOS Simulation Centre CNR-IOMVerified email at sissa.it
Roland AssarafCNRS - Sorbonne UniversitéVerified email at lct.jussieu.fr
David J. SinghUniversity of MissouriVerified email at missouri.edu
Gun Sang JeonDepartment of Physics, Ewha Womans UniversityVerified email at ewha.ac.kr
Arthur H EdwardsSenior Research Physicist, Air Force Research LaboratoryVerified email at spaceforce.mil
John KettersonNorthwestern UniversityVerified email at northwestern.edu
Kevin DriverLawrence Livermore National Laboratory

C. J. Umrigar

Cornell University

Verified email at cornell.edu - Homepage

electronic structure theory


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Optimized trial wave functions for quantum Monte Carlo calculations CJ Umrigar, KG Wilson, JW Wilkins Physical Review Letters 60 (17), 1719, 1988	793	1988
A diffusion Monte Carlo algorithm with very small time‐step errors CJ Umrigar, MP Nightingale, KJ Runge The Journal of chemical physics 99 (4), 2865-2890, 1993	657	1993
Alleviation of the fermion-sign problem by optimization of many-body wave functions CJ Umrigar, J Toulouse, C Filippi, S Sorella, RG Hennig Physical review letters 98 (11), 110201, 2007	514	2007
Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series CJ Umrigar, X Gonze Physical Review A 50 (5), 3827, 1994	423	1994
Heat-bath configuration interaction: An efficient selected configuration interaction algorithm inspired by heat-bath sampling AA Holmes, NM Tubman, CJ Umrigar Journal of chemical theory and computation 12 (8), 3674-3680, 2016	300	2016
Optimization of quantum Monte Carlo wave functions by energy minimization J Toulouse, CJ Umrigar The Journal of chemical physics 126 (8), 084102, 2007	298	2007
Multiconfiguration wave functions for quantum Monte Carlo calculations of first‐row diatomic molecules C Filippi, CJ Umrigar The Journal of Chemical Physics 105 (1), 213-226, 1996	287	1996
All-electron study of gradient corrections to the local-density functional in metallic systems A Khein, DJ Singh, CJ Umrigar Physical Review B 51 (7), 4105, 1995	285	1995
Natural orbital functional for the many-electron problem S Goedecker, CJ Umrigar Physical review letters 81 (4), 866, 1998	279	1998
All-electron local-density and generalized-gradient calculations of the structural properties of semiconductors C Filippi, DJ Singh, CJ Umrigar Physical Review B 50 (20), 14947, 1994	243	1994
Electronic structure of intrinsic defects in crystalline germanium telluride AH Edwards, AC Pineda, PA Schultz, MG Martin, AP Thompson, ... Physical Review B 73 (4), 045210, 2006	235	2006
Quantum Monte Carlo methods in physics and chemistry MP Nightingale, CJ Umrigar Springer Science & Business Media, 1998	232	1998
Quantum Monte Carlo methods in physics and chemistry MP Nightingale, CJ Umrigar Springer Science & Business Media, 1998	232	1998
Energy and variance optimization of many-body wave functions CJ Umrigar, C Filippi Physical review letters 94 (15), 150201, 2005	231	2005
Comparison of exact and approximate density functionals for an exactly soluble model C Filippi, CJ Umrigar, M Taut The Journal of chemical physics 100 (2), 1290-1296, 1994	231	1994
Semistochastic heat-bath configuration interaction method: Selected configuration interaction with semistochastic perturbation theory S Sharma, AA Holmes, G Jeanmairet, A Alavi, CJ Umrigar Journal of chemical theory and computation 13 (4), 1595-1604, 2017	229	2017
Full optimization of Jastrow–Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules J Toulouse, CJ Umrigar The Journal of chemical physics 128 (17), 174101, 2008	219	2008
Relationship of Kohn–Sham eigenvalues to excitation energies A Savin, CJ Umrigar, X Gonze Chemical Physics Letters 288 (2-4), 391-395, 1998	218	1998
Critical assessment of the self-interaction-corrected–local-density-functional method and its algorithmic implementation S Goedecker, CJ Umrigar Physical Review A 55 (3), 1765, 1997	205	1997
Semistochastic projector monte carlo method FR Petruzielo, AA Holmes, HJ Changlani, MP Nightingale, CJ Umrigar Physical review letters 109 (23), 230201, 2012	177	2012

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