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The AM05 density functional applied to solids

The Journal of chemical physics, 2008-02, Vol.128 (8), p.084714-084714-11

2008

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Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory

1, 2010

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Structure of Spinel

Journal of the American Ceramic Society, 1999-12, Vol.82 (12), p.3279-3292

1999

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Reproducibility in density functional theory calculations of solids

Science (American Association for the Advancement of Science), 2016-03, Vol.351 (6280), p.1415-1415

2016

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Role of electronic and magnetic interactions in defect formation and anomalous diffusion in δ-Pu

Journal of nuclear materials, 2020-04, Vol.532 (C), p.152027, Article 152027

2020

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Density functional theory for d- and f-electron materials and compounds

International journal of quantum chemistry, 2016-06, Vol.116 (11), p.834-846

2016

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Dirac's equation and its implications for density functional theory based calculations of materials containing heavy elements

Physical review. B, 2020-02, Vol.101 (8), Article 085114

2020

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Notes on the Dual Nature of 5f Electrons

Journal of the Physical Society of Japan, 2006-01, Vol.75 (Suppl), p.39-40

2006

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Density functional theory for d- and f-electron materials and compounds

International journal of quantum chemistry, 2016-02, Vol.49 (6)

2016

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Spin density stabilization of local distortions induced by a monovacancy in δ -Pu

Physical review materials, 2018-08, Vol.2 (8), Article 085005

2018

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Dirac's equation and its implications for density functional theory based calculations of materials containing heavy elements

Physical review. B, 2020-02, Vol.101 (8)

2020

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First-principles theory of iron up to earth-core pressures: Structural, vibrational, and elastic properties

Physical review. B, Condensed matter, 1996-06, Vol.53 (21), p.14063-14072

1996

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You Left Me Speechless: A Case of Valproic Acid Induced Aphasia

Journal of the American Medical Directors Association, 2016-03, Vol.17 (3), p.B8-B8

2016

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Theory of phase stabilities and bonding mechanisms in stoichiometric and substoichiometric molybdenum carbide

Journal of applied physics, 1999-10, Vol.86 (7), p.3758-3767

1999

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THE COLD EQUATION OF STATE OF TANTALUM

Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, 2009, Vol.1195, p.681-684

2009

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Full-Potential Electronic Structure Method. Springer Series in Solid-State Sciences, Band 167: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory

1. Aufl., 2010

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Prior Contact with Geriatricians Primes the Way for ED Providers to Address Code Status in Older Patients in the ED and Advance It

Journal of the American Medical Directors Association, 2012-03, Vol.13 (3), p.B16-B16

2012

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Linear-muffin-tin-orbital calculation of TaC(001) surface relaxation

Physical review. B, Condensed matter, 1993-11, Vol.48 (20), p.15301-15310

1993

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Crystal structures of Ti, Zr, and Hf under compression : theory

Physical review. B, Condensed matter, 1993-12, Vol.48 (22), p.16269-16279

1993

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Spin density waves in Cr / Mo films

Physical review. B, Condensed matter, 2001-03, Vol.63 (10), Article 104417

2001

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Many-body projector orbitals for electronic structure theory of strongly correlated electrons

International journal of quantum chemistry, 2005, Vol.105 (2), p.160-165

2005

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Magnetic anisotropy of L 10 FePt and Fe1-x Mnx Pt

Physical review. B, Condensed matter and materials physics, 2005, Vol.71 (13)

2005

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TiC(001) Surface Relaxation

Physical review letters, 1996-10, Vol.77 (16), p.3375-3378

1996

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Effect on chlorine incorporation as Mg is alloyed into ZnSe

Physical review. B, Condensed matter, 2002-10, Vol.66 (16), Article 165222

2002

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Predicted lattice relaxation around point defects in zinc selenide

Physical review. B, Condensed matter, 2001-07, Vol.64 (3), Article 035206

2001

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The AM05 density functional applied to solids

Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory

Structure of Spinel

Reproducibility in density functional theory calculations of solids

Role of electronic and magnetic interactions in defect formation and anomalous diffusion in δ-Pu

Density functional theory for d- and f-electron materials and compounds

Dirac's equation and its implications for density functional theory based calculations of materials containing heavy elements

Notes on the Dual Nature of 5f Electrons

Density functional theory for d- and f-electron materials and compounds

Spin density stabilization of local distortions induced by a monovacancy in δ -Pu

Dirac's equation and its implications for density functional theory based calculations of materials containing heavy elements

First-principles theory of iron up to earth-core pressures: Structural, vibrational, and elastic properties

You Left Me Speechless: A Case of Valproic Acid Induced Aphasia

Theory of phase stabilities and bonding mechanisms in stoichiometric and substoichiometric molybdenum carbide

THE COLD EQUATION OF STATE OF TANTALUM

Full-Potential Electronic Structure Method. Springer Series in Solid-State Sciences, Band 167: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory

Prior Contact with Geriatricians Primes the Way for ED Providers to Address Code Status in Older Patients in the ED and Advance It

Linear-muffin-tin-orbital calculation of TaC(001) surface relaxation

Crystal structures of Ti, Zr, and Hf under compression : theory

Spin density waves in Cr / Mo films

Many-body projector orbitals for electronic structure theory of strongly correlated electrons

Magnetic anisotropy of L 10 FePt and Fe1-x Mnx Pt

TiC(001) Surface Relaxation

Effect on chlorine incorporation as Mg is alloyed into ZnSe

Predicted lattice relaxation around point defects in zinc selenide

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