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H

Henry Krakauer

William & Mary

60H-index
286Paper Count
1.4WCitation Count
Published Papers 38
Publication Date
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Non-perturbative many-body treatment of molecular magnets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-20
err1
errOAAI
errEskridge, Brandon; Krakauer, Henry; Zhang, Shiwei
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Ab initio calculations in atoms, molecules, and solids, treating spin-orbit coupling and electron interaction on an equal footing
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-03
err7
errOAAI
errEskridge, Brandon; Krakauer, Henry; Shi, Hao; Zhang, Shiwei
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errSave
Local Embedding and Effective Downfolding in the Auxiliary-Field Quantum Monte Carlo Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-06-25
err15
errOAAI
errEskridge, Brandon; Krakauer, Henry; Zhang, Shiwei
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Auxiliary-field quantum Monte Carlo calculations with multiple-projector pseudopotentials
errPHYSICAL REVIEW B
IF3.7
err2017-04-04
err20
errOAAI
errMa, Fengjie; Zhang, Shiwei; Krakauer, Henry
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Insulating phases of vanadium dioxide are Mott-Hubbard insulators
errPHYSICAL REVIEW B
IF3.7
err2017-02-15
err68
errOAAI
errHuffman, T. J.; Hendriks, C.; Walter, E. J.; Yoon, Joonseok; Ju, Honglyoul; Smith, R.; Carr, G. L.; Krakauer, H.; Qazilbash, M. M.
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Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-06-27
err19
errOAAI
errPurwanto, Wirawan; Zhang, Shiwei; Krakauer, Henry
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Electron-phonon coupling and exchange-correlation effects in superconducting H3S under high pressure
errPHYSICAL REVIEW B
IF3.7
err2015-11-23
err34
errOAAI
errKomelj, Matej; Krakauer, Henry
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Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-10-23
err32
errOAAI
errPurwanto, Wirawan; Zhang, Shiwei; Krakauer, Henry
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Anisotropic infrared response of vanadium dioxide microcrystals
errPHYSICAL REVIEW B
IF3.7
err2013-03-15
err52
errOAAI
errHuffman, T. J.; Xu, Peng; Qazilbash, M. M.; Walter, E. J.; Krakauer, H.; Wei, Jiang; Cobden, D. H.; Bechtel, H. A.; Martin, M. C.; Carr, G. L.; Basov, D. N.
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Ab initio many-body study of cobalt adatoms adsorbed on graphene
errPHYSICAL REVIEW B
IF3.7
err2012-12-28
err28
errOAAI
errVirgus, Yudistira; Purwanto, Wirawan; Krakauer, Henry; Zhang, Shiwei
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Assessing weak hydrogen binding on Ca+ centers: An accurate many-body study with large basis sets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-10-28
err62
errOAAI
errPurwanto, Wirawan; Krakauer, Henry; Virgus, Yudistira; Zhang, Shiwei
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errSave
Finite-size correction in many-body electronic structure calculations of magnetic systems
errPHYSICAL REVIEW B
IF3.7
err2011-10-19
err15
errOAAI
errMa, Fengjie; Zhang, Shiwei; Krakauer, Henry
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errSave
First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr1/2Ti1/2)O3 and Pb(Mg1/3Nb2/3)O3: Linear dependence on transition-metal/oxygen bond lengths
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2011-09-19
err7
errOAAI
errPechkis, Daniel L.; Walter, Eric J.; Krakauer, Henry
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Pressure-induced diamond to β-tin transition in bulk silicon: A quantum Monte Carlo study
errPHYSICAL REVIEW B
IF3.7
err2009-12-23
err63
errOAAI
errPurwanto, Wirawan; Krakauer, Henry; Zhang, Shiwei
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High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: First principles calculations of large anisotropic chemical shielding
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-11-13
err6
errOAAI
errPechkis, Daniel L.; Walter, Eric J.; Krakauer, Henry
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errSave
Stereochemistry Determination by Powder X-Ray Diffraction Analysis and NMR Spectroscopy Residual Dipolar Couplings
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2009-07-15
err47
errOAAI
errGarcia, Manuela E.; Pagola, Silvina; Navarro-Vazquez, Armando; Phillips, Damilola D.; Gayathri, Chakicherla; Krakauer, Henry; Stephens, Peter W.; Nicotra, Viviana E.; Gil, Roberto R.
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Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C2 singlet states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-03-06
err71
errOAAI
errPurwanto, Wirawan; Zhang, Shiwei; Krakauer, Henry
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errSave
Eliminating spin contamination in auxiliary-field quantum Monte Carlo:: Realistic potential energy curve of F2
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2008-03-19
err63
errOAAI
errPurwanto, Wirawan; Al-Saidi, W. A.; Krakauer, Henry; Zhang, Shiwei
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errSave
Bond breaking with auxiliary-field quantum monte carlo
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-10-09
err58
errOAAI
errAl-Saidi, W. A.; Zhang, Shiwei; Krakauer, Henry
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errSave
Structural dependence of electric field gradients in Pb(Zr1-xTix)O3 from first principles
errPHYSICAL REVIEW B
IF3.7
err2007-07-12
err12
PREAI
errMao, Dandan; Walter, Eric J.; Krakauer, Henry; Wu, Zhigang
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Research Directions

No research directions
Co-authors
Cooperation Journals
D
D. N. Basov
H-index: 75 · Papers: 439
P
Peter W. Stephens
H-index: 69 · Papers: 662
R
R. E. Cohen
H-index: 66 · Papers: 448
M
Michael C. Martin
H-index: 57 · Papers: 440
A
A. Baldereschi
H-index: 53 · Papers: 318
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