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Spin- and charge-density waves in the Hartree–Fock ground state of the two-dimensional Hubbard model

Journal of physics. Condensed matter, 2011-12, Vol.23 (50), p.505601-14

2011

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Proximity-induced spin-orbit splitting in graphene nanoribbons on transition-metal dichalcogenides

Physical review. B, 2020-05, Vol.101 (19), p.1, Article 195416

2020

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Magnetic order in the Hubbard model in three dimensions and the crossover to two dimensions

Journal of physics. Condensed matter, 2013-10, Vol.25 (41), p.415602-415602

2013

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Strained hexagonal ScN: a material with unusual structural and optical properties

Physical review letters, 2003-06, Vol.90 (25 Pt 1), p.257602-257602, Article 257602

2003

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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

The Journal of chemical physics, 2009-11, Vol.131 (18), p.184511-184511

2009

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Finite-temperature properties of Ba(Zr,Ti)O3 relaxors from first principles

Physical review letters, 2012-06, Vol.108 (25), p.257601

2012

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Finite-Temperature Properties of Ba ( Zr , Ti ) O 3 Relaxors from First Principles

Physical review letters, 2012-06, Vol.108 (25), Article 257601

2012

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Coadsorption of methyl radicals and oxygen on Rh(1 1 1)

Surface science, 2004-02, Vol.549 (3), p.265-272

2004

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First principles studies of the born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg 1/3Nb 2/3O 3)

Computational materials science, 2006-08, Vol.37 (1), p.152-158

2006

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First principles study of carbon monoxide adsorption on zirconia-supported copper

Surface science, 2001-12, Vol.495 (1), p.44-50

2001

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Phonon density of states of model ferroelectrics

MRS proceedings, 2010, Vol.1262 (1), Article 1262-W01-02

2010

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Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules

Physical review. B, Condensed matter and materials physics, 2007-06, Vol.75 (24), Article 245123

2007

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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

The Journal of chemical physics, 2011-09, Vol.135 (11)

2011

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First-principles calculations of 17 O nuclear magnetic resonance chemical shielding in Pb(Zr 1/2 Ti 1/2 )O 3 and Pb(Mg 1/3 Nb 2/3 )O 3 : Linear dependence on transition-metal/oxygen bond lengths

The Journal of chemical physics, 2011-09, Vol.135 (11), p.114507-114507-9

2011

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Theoretical investigation of the evolution of the topological phase of Bi2Se3 under mechanical strain

Physical review. B, Condensed matter and materials physics, 2011-08, Vol.84 (8)

2011

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High sensitivity of O17 NMR to p-d hybridization in transition metal perovskites: First principles calculations of large anisotropic chemical shielding

The Journal of chemical physics, 2009-11, Vol.131 (18)

2009

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

The Journal of chemical physics, 2009-11, Vol.131 (18), p.184511-184511-9

2009

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

Journal of physics. Conference series, 2008-07, Vol.125 (1), p.012057

2008

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First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr(1/2)Ti(1/2))O3 and Pb(Mg(1/3)Nb(2/3))O3: linear dependence on transition-metal/oxygen bond lengths

The Journal of chemical physics, 2011-09, Vol.135 (11), p.114507-114507

2011

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Binding of transition metals to SIO0 proteins

中国科学：生命科学英文版, 2016 (8), p.792-801

Benjamin A. Gilston Eric P. Skaar Walter J. Chazin

2016

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Investigation of chemisorbed molecular states for oxygen on rhodium (111)

The Journal of chemical physics, 2000-09, Vol.113 (10), p.4388-4391

2000

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Accurate and efficient determination of chemisorption energies using pseudopotentials

Surface science, 1999-06, Vol.427, p.11-14

1999

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Theoretical investigation of the evolution of the topological phase of Bi 2 Se 3 under mechanical strain

Physical review. B, Condensed matter and materials physics, 2011-08, Vol.84 (8), Article 085106

2011

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Hybrid density functional calculations of the band gap of Ga x In 1 − x N

Physical review. B, Condensed matter and materials physics, 2009-09, Vol.80 (11), Article 115201

2009

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Structural dependence of electric field gradients in Pb ( Zr 1 − x Ti x ) O 3 from first principles

Physical review. B, Condensed matter and materials physics, 2007-07, Vol.76 (1), Article 014105

2007

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Spin- and charge-density waves in the Hartree–Fock ground state of the two-dimensional Hubbard model

Proximity-induced spin-orbit splitting in graphene nanoribbons on transition-metal dichalcogenides

Magnetic order in the Hubbard model in three dimensions and the crossover to two dimensions

Strained hexagonal ScN: a material with unusual structural and optical properties

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

Finite-temperature properties of Ba(Zr,Ti)O3 relaxors from first principles

Finite-Temperature Properties of Ba ( Zr , Ti ) O 3 Relaxors from First Principles

Coadsorption of methyl radicals and oxygen on Rh(1 1 1)

First principles studies of the born effective charges and electronic dielectric tensors for the relaxor PMN (PbMg 1/3Nb 2/3O 3)

First principles study of carbon monoxide adsorption on zirconia-supported copper

Phonon density of states of model ferroelectrics

Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules

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

First-principles calculations of 17 O nuclear magnetic resonance chemical shielding in Pb(Zr 1/2 Ti 1/2 )O 3 and Pb(Mg 1/3 Nb 2/3 )O 3 : Linear dependence on transition-metal/oxygen bond lengths

Theoretical investigation of the evolution of the topological phase of Bi2Se3 under mechanical strain

High sensitivity of O17 NMR to p-d hybridization in transition metal perovskites: First principles calculations of large anisotropic chemical shielding

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

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

First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr(1/2)Ti(1/2))O3 and Pb(Mg(1/3)Nb(2/3))O3: linear dependence on transition-metal/oxygen bond lengths

Binding of transition metals to SIO0 proteins

Investigation of chemisorbed molecular states for oxygen on rhodium (111)

Accurate and efficient determination of chemisorption energies using pseudopotentials

Theoretical investigation of the evolution of the topological phase of Bi 2 Se 3 under mechanical strain

Hybrid density functional calculations of the band gap of Ga x In 1 − x N

Structural dependence of electric field gradients in Pb ( Zr 1 − x Ti x ) O 3 from first principles

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