C. Umrigar

发表

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, Ali Alavi, Ning Zhang, 2020, The journal of physical chemistry letters.

Excited states using semistochastic heat-bath configuration interaction.

Sandeep Sharma, C. Umrigar, A. Holmes, 2017, The Journal of chemical physics.

Questioning the existence of a unique ground-state structure for Si clusters

S. Goedecker, C. Umrigar, W. Hellmann, 2007 .

Introduction to the variational and diffusion Monte Carlo methods

C. J. Umrigar, Julien Toulouse, Roland Assaraf, 2015, 1508.02989.

Quantum Monte Carlo methods in physics and chemistry

C. Umrigar, M. Nightingale, 1999 .

C. Umrigar, C. Filippi, 1999, cond-mat/9911326.

Approximating strongly correlated wave functions with correlator product states

Garnet Kin-Lic Chan, Cyrus J. Umrigar, Hitesh J. Changlani, 2009, 0907.4646.

Approximating strongly correlated spin and fermion wavefunctions with correlator product states

Jesse M. Kinder, G. Chan, C. Umrigar, 2010 .

Alleviation of the Fermion-sign problem by optimization of many-body wave functions.

Claudia Filippi, C J Umrigar, Julien Toulouse, 2007, Physical review letters.

Generalized gradient approximations to density functional theory: comparison with exact results

C. Umrigar, X. Gonze, C. Filippi, 1996, cond-mat/9607046.

Spectroscopic accuracy directly from quantum chemistry: application to ground and excited states of beryllium dimer.

George H. Booth, G. Chan, Sandeep Sharma, 2014, The Journal of chemical physics.

Influence of the exchange-correlation potential in methods based on time-dependent density-functional theory

C. Umrigar, A. Görling, A. Hesselmann, 2013 .

Quantum Monte Carlo with Jastrow-valence-bond wave functions.

C. Umrigar, M. Caffarel, J. Toulouse, 2011, The Journal of chemical physics.

Local correlation energies of two-electron atoms and model systems

Cyrus J. Umrigar, C. Umrigar, C. Huang, 1997 .

Multiconfiguration wave functions for quantum Monte Carlo calculations of first‐row diatomic molecules

Claudia Filippi, Cyrus J. Umrigar, C. Umrigar, 1996 .

Time-dependent linear-response variational Monte

C. Umrigar, J. Toulouse, R. Assaraf, 2018 .

Time-Dependent Linear-Response Variational Monte Carlo

C. Umrigar, J. Toulouse, R. Assaraf, 2017, 1705.09813.

A critical assessment of the Self-Interaction Corrected Local Density Functional method and its algorithmic implementation

S. Goedecker, C. Umrigar, 1996, cond-mat/9608043.

The pressure dependences of TiS2 and TiSe2 band structures

C. Umrigar, A. Woolley, G. Benesh, 1985 .

Energy and variance optimization of many-body wave functions.

C. Umrigar, C. Filippi, 2004, Physical review letters.

Generalized gradient approximations to density functional theory: comparison with exact results

C. Umrigar, X. Gonze, C. Filippi, 1996, cond-mat/9607046.

Alleviation of the Fermion-sign problem by optimization of many-body wave functions.

C. Umrigar, R. Hennig, J. Toulouse, 2006, Physical review letters.

Are Unoccupied Kohn-Sham Eigenvalues Related to Excitation Energies?

A. Savin, C. Umrigar, X. Gonze, 1998 .

Questioning the existence of a unique ground-state structure for Si clusters

S. Goedecker, C. Umrigar, W. Hellmann, 2006, cond-mat/0610568.

Band structure, intercalation, and interlayer interactions of transition-metal dichalcogenides: Ti S 2 and LiTi S 2

C. Umrigar, Ding-sheng Wang, M. Posternak, 1982 .

C. Umrigar, C. Filippi, 1999, cond-mat/9911326.

Rare-gas-metal pair potential: He-vacancy interaction

J. Nørskov, C. Umrigar, M. Manninen, 1982 .

Quantum Monte Carlo algorithms for electronic structure at the petascale; the Endstation project

C. Umrigar, A. Srinivasan, R. Hennig, 2008 .

Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics

C. Umrigar, M. Nightingale, 1998, cond-mat/9804288.

Calculated against experimental charge density distribution of Be metal

C. Umrigar, A. Pindor, S. Vosko, 1986 .

The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations.

G. Chan, C. Umrigar, N. Dattani, 2018, The Journal of chemical physics.

Natural Orbital Functional for the Many-Electron Problem

S. Goedecker, C. Umrigar, 1998, physics/9805011.

Relationship of Kohn-Sham eigenvalues to excitation energies

Xavier Gonze, Cyrus J. Umrigar, A. Savin, 1998 .

Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules.

C J Umrigar, Julien Toulouse, C. Umrigar, 2008, The Journal of chemical physics.

Optimization of quantum Monte Carlo wave functions by energy minimization.

C J Umrigar, Julien Toulouse, C. Umrigar, 2007, The Journal of chemical physics.

Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density.

C J Umrigar, Julien Toulouse, Roland Assaraf, 2007, The Journal of chemical physics.

Excited states of methylene from quantum Monte Carlo.

C. Umrigar, P. Zimmerman, J. Toulouse, 2009, The Journal of chemical physics.

Correlation-induced inhomogeneity in circular quantum dots

Denis Ullmo, Harold U. Baranger, C. J. Umrigar, 2006, cond-mat/0601178.

A diffusion Monte Carlo algorithm with very small time-step errors

C. Umrigar, M. Nightingale, K. Runge, 1993 .

Interaction Effects in the Mesoscopic Regime: A Quantum Monte Carlo Study of Irregular Quantum Dots

C. Umrigar, H. Baranger, D. Ullmo, 2004, cond-mat/0411242.

Path to Wigner localization in circular quantum dots

C. Umrigar, M. Chou, L. Zeng, 2009 .

Interaction-Induced Strong Localization in Quantum Dots

C. Umrigar, H. Baranger, A. Ghosal, 2007, 0708.1304.

Incipient Wigner localization in circular quantum dots

C. Umrigar, H. Baranger, D. Ullmo, 2007, cond-mat/0702666.

Toward Strong Interactions in Circular Quantum Dots: Correlation Induced Inhomogeneity

C. Umrigar, H. Baranger, D. Ullmo, 2006 .

Diffusion Monte Carlo study of circular quantum dots

C. Umrigar, F. Pederiva, E. Lipparini, 1999, cond-mat/9912166.

Composite-fermion antiparticle description of the hole excitation in a maximum-density droplet with a small number of electrons

C. Umrigar, G. Jeon, J. Jain, 2005 .

Semistochastic projector Monte Carlo method.

C J Umrigar, Hitesh J. Changlani, C. Umrigar, 2012, Physical review letters.

Energy density functionals from the strong-coupling limit applied to the anions of the He isoelectronic series.

P. Gori-Giorgi, C. Umrigar, J. D. Morgan, 2014, The Journal of chemical physics.

Externally Corrected CCSD with Renormalized Perturbative Triples (R-ecCCSD(T)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External Sources.

Seunghoon Lee, G. Chan, Sandeep Sharma, 2021, Journal of chemical theory and computation.

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, K. B. Whaley, M. Head‐Gordon, 2020, The journal of physical chemistry letters.

Fast semistochastic heat-bath configuration interaction.

Matthew Otten, C J Umrigar, Adam A Holmes, 2018, The Journal of chemical physics.

Fixed-node diffusion Monte Carlo study of the structures of m-benzyne.

C. Umrigar, W. Al-Saidi, 2008, The Journal of chemical physics.

Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling.

C J Umrigar, Adam A Holmes, Norm M Tubman, 2016, Journal of chemical theory and computation.

Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory.

Ali Alavi, C J Umrigar, Sandeep Sharma, 2016, Journal of chemical theory and computation.

The Chromium Dimer: Closing a Chapter of Quantum Chemistry

G. Chan, C. Umrigar, Huanchen Zhai, 2022, Journal of the American Chemical Society.

Efficient Heat-Bath Sampling in Fock Space.

C J Umrigar, Adam A Holmes, Hitesh J. Changlani, 2015, Journal of chemical theory and computation.

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

C J Umrigar, Julien Toulouse, C. Umrigar, 2010, The Journal of chemical physics.

Direct Comparison of Many-Body Methods for Realistic Electronic Hamiltonians

George H. Booth, Kiel T. Williams, Yuan Yao, 2019, Physical Review X.

Observations on variational and projector Monte Carlo methods.

C J Umrigar, C. Umrigar, 2015, The Journal of chemical physics.

Comparison of polynomial approximations to speed up planewave-based quantum Monte Carlo calculations

Richard G. Hennig, Dario Alfè, C. J. Umrigar, 2013, J. Comput. Phys..

A Method for Determining Many Body Wavefunctions

K. Wilson, C. Umrigar, J. Wilkins, 1988 .

Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method.

Yuan Yao, C. Umrigar, E. Giner, 2020, The Journal of chemical physics.

Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer

Yuan Yao, Sandeep Sharma, C. Umrigar, 2019, Physical Review Research.

Approaching chemical accuracy with quantum Monte Carlo.

C J Umrigar, Julien Toulouse, C. Umrigar, 2012, The Journal of chemical physics.

Optimizing large parameter sets in variational quantum Monte Carlo

Garnet Kin-Lic Chan, Eric Neuscamman, C. J. Umrigar, 2011, 1108.0900.

Nonlocal pseudopotentials and time-step errors in diffusion Monte Carlo.

T. A. Anderson, C. Umrigar, 2021, The Journal of chemical physics.

Comparison of exact and approximate density functionals for an exactly soluble model

Claudia Filippi, Cyrus J. Umrigar, C. Umrigar, 1994 .

Embedded cluster model of NbO2: Compton profile and electronic spectra

C. Umrigar, D. Ellis, 1980 .

Evidence of physical reality in the Kohn-Sham potential: The case of atomic Ne

C. Umrigar, R. Resta, A. Al-Sharif, 1998 .

Anisotropic Ultrasound Propagtion in a Semctic- C Liquid Crystal

C. Umrigar, J. Ketterson, S. Bhattacharya, 1977 .

Repulsive interaction of the helium atom with a metal surface

J. Nørskov, C. Umrigar, M. Manninen, 1984 .

Orbital Optimization in Selected Configuration Interaction Methods.

Yuan Yao, C. Umrigar, 2021, Journal of chemical theory and computation.

Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction.

Paul M Zimmerman, Matthew Otten, C J Umrigar, 2018, The journal of physical chemistry. A.

Heat-bath Configuration Interaction: An efficient selected CI algorithm inspired by heat-bath sampling

N. Tubman, C. Umrigar, A. Holmes, 2016 .

Quantum Monte Carlo study of composite fermions in quantum dots: The effect of Landau-level mixing

C. Umrigar, G. Jeon, J. Jain, 2005 .

Electronic structure of intrinsic defects in crystalline germanium telluride

Arthur H. Edwards, Andrew C. Pineda, Harold P. Hjalmarson, 2006 .

Electron intracule densities with correct electron coalescence cusps from Hiller–Sucher–Feinberg‐type identities

C. Umrigar, J. Cioslowski, B. Stefanov, 1995 .

Quantum Monte Carlo facing the Hartree-Fock symmetry dilemma: The case of hydrogen rings

C. Umrigar, J. Toulouse, R. Assaraf, 2011, 1107.3537.

Quantum Monte Carlo Calculations of Electronic Excitation Energies: The Case of the Singlet n→π∗ (CO) Transition in Acrolein

C. Umrigar, M. Caffarel, J. Toulouse, 2010, 1012.5279.

Compact and flexible basis functions for quantum Monte Carlo calculations.

C. Umrigar, J. Toulouse, F. Petruzielo, 2009, The Journal of chemical physics.

The energy landscape of silicon systems and its description by force fields, tight binding schemes, density functional methods and Quantum Monte Carlo methods

Stefan Goedecker, Luigi Genovese, Shantanu Roy, 2009, 0910.4050.

Quantum Monte Carlo study of the cooperative binding of NO2 to fragment models of carbon nanotubes

Charles W. Bauschlicher, Claudia Filippi, John W. Lawson, 2008 .

Spin contamination in quantum Monte Carlo wave functions

C. Umrigar, C. Filippi, C. Huang, 1998 .

Variational Monte Carlo Basics and Applications to Atoms and Molecules

C. Umrigar, 1999 .

Erratum: Diffusion Monte Carlo study of circular quantum dots [Phys. Rev. B 62, 8120 (2000)]

C. Umrigar, F. Pederiva, E. Lipparini, 2003, cond-mat/0305710.

A diffusion Monte Carlo algorithm with very small timestep errors

C. J. Umrigar, C. Umrigar, 1999 .

Calculation of helium diffraction from metal surfaces

C. Umrigar, M. Manninen, M. Karikorpi, 1986 .

Investigation of excitation energies and Hund's rule in open shell quantum dots by diffusion Monte Carlo

C. Umrigar, F. Pederiva, L. Colletti, 2002 .

Phase transformation in Si from semiconducting diamond to metallic β-Sn phase in QMC and DFT under hydrostatic and anisotropic stress

C. Umrigar, R. Hennig, W. Parker, 2010, 1006.3253.

Optimized trial wave functions for quantum Monte Carlo calculations.

Wilson, Wilkins, K. Wilson, 1988, Physical review letters.

Chemistry of the spin- 12 kagome Heisenberg antiferromagnet

Yuan Yao, C. Umrigar, V. Elser, 2020, 2004.01107.

Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics

C. J. Umrigar, M. P. Nightingale, C. Umrigar, 1998, cond-mat/9804288.

Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series.

C. Umrigar, X. Gonze, Gonze, 1994, Physical review. A, Atomic, molecular, and optical physics.

Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects

G. Scuseria, C. Umrigar, R. Hennig, 2006 .

Approaching chemical accuracy with quantum Monte Carlo.

C. Umrigar, J. Toulouse, F. Petruzielo, 2012, The Journal of chemical physics.