Henry Krakauer - Publications, H-index & Citations

Henry Krakauer

William & Mary

60H指数

286论文数

1.4W被引数

收录论文 38

发表时间

Non-perturbative many-body treatment of molecular magnets

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-06-20

OAAI

Eskridge, Brandon; Krakauer, Henry; Zhang, Shiwei

Ab initio calculations in atoms, molecules, and solids, treating spin-orbit coupling and electron interaction on an equal footing

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-01-03

OAAI

Eskridge, Brandon; Krakauer, Henry; Shi, Hao; Zhang, Shiwei

Local Embedding and Effective Downfolding in the Auxiliary-Field Quantum Monte Carlo Method

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-06-25

OAAI

Eskridge, Brandon; Krakauer, Henry; Zhang, Shiwei

Auxiliary-field quantum Monte Carlo calculations with multiple-projector pseudopotentials

PHYSICAL REVIEW B

IF3.7

2017-04-04

OAAI

Ma, Fengjie; Zhang, Shiwei; Krakauer, Henry

Insulating phases of vanadium dioxide are Mott-Hubbard insulators

PHYSICAL REVIEW B

IF3.7

2017-02-15

OAAI

Huffman, T. J.; Hendriks, C.; Walter, E. J.; Yoon, Joonseok; Ju, Honglyoul; Smith, R.; Carr, G. L.; Krakauer, H.; Qazilbash, M. M.

Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-06-27

OAAI

Purwanto, Wirawan; Zhang, Shiwei; Krakauer, Henry

Electron-phonon coupling and exchange-correlation effects in superconducting H3S under high pressure

PHYSICAL REVIEW B

IF3.7

2015-11-23

OAAI

Komelj, Matej; Krakauer, Henry

Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum Monte Carlo

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2013-10-23

OAAI

Purwanto, Wirawan; Zhang, Shiwei; Krakauer, Henry

Anisotropic infrared response of vanadium dioxide microcrystals

PHYSICAL REVIEW B

IF3.7

2013-03-15

OAAI

Huffman, 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.

Ab initio many-body study of cobalt adatoms adsorbed on graphene

PHYSICAL REVIEW B

IF3.7

2012-12-28

OAAI

Virgus, Yudistira; Purwanto, Wirawan; Krakauer, Henry; Zhang, Shiwei

Assessing weak hydrogen binding on Ca+ centers: An accurate many-body study with large basis sets

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-10-28

OAAI

Purwanto, Wirawan; Krakauer, Henry; Virgus, Yudistira; Zhang, Shiwei

Finite-size correction in many-body electronic structure calculations of magnetic systems

PHYSICAL REVIEW B

IF3.7

2011-10-19

OAAI

Ma, Fengjie; Zhang, Shiwei; Krakauer, Henry

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-09-19

OAAI

Pechkis, Daniel L.; Walter, Eric J.; Krakauer, Henry

Pressure-induced diamond to β-tin transition in bulk silicon: A quantum Monte Carlo study

PHYSICAL REVIEW B

IF3.7

2009-12-23

OAAI

Purwanto, Wirawan; Krakauer, Henry; Zhang, Shiwei

High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: First principles calculations of large anisotropic chemical shielding

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-11-13

OAAI

Pechkis, Daniel L.; Walter, Eric J.; Krakauer, Henry

Stereochemistry Determination by Powder X-Ray Diffraction Analysis and NMR Spectroscopy Residual Dipolar Couplings

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2009-07-15

OAAI

Garcia, Manuela E.; Pagola, Silvina; Navarro-Vazquez, Armando; Phillips, Damilola D.; Gayathri, Chakicherla; Krakauer, Henry; Stephens, Peter W.; Nicotra, Viviana E.; Gil, Roberto R.

Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C2 singlet states

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-03-06

OAAI

Purwanto, Wirawan; Zhang, Shiwei; Krakauer, Henry

Eliminating spin contamination in auxiliary-field quantum Monte Carlo:: Realistic potential energy curve of F2

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2008-03-19

OAAI

Purwanto, Wirawan; Al-Saidi, W. A.; Krakauer, Henry; Zhang, Shiwei