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A self-consistent DFT + DMFT scheme in the projector augmented wave method: applications to cerium, Ce2O3 and Pu2O3 with the Hubbard I solver and comparison to DFT + U

Journal of physics. Condensed matter, 2012-02, Vol.24 (7), p.075604-26

Amadon, B

2012

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Thermodynamics of the α - γ transition in cerium from first principles

Physical review. B, Condensed matter and materials physics, 2014-05, Vol.89 (19), Article 195132

2014

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Role of pressure on electronic, magnetic and structural properties at iron’s Curie temperature: a DFT + DMFT study

Journal of physics. Condensed matter, 2022-11, Vol.34 (46), p.464003

2022

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Advances in first-principles modelling of point defects in UO2: f electron correlations and the issue of local energy minima

Journal of physics. Condensed matter, 2013-08, Vol.25 (33), p.333201-333201

2013

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ABINIT: First-principles approach to material and nanosystem properties

Computer physics communications, 2009-12, Vol.180 (12), p.2582-2615

2009

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Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals

Physical review. B, Condensed matter and materials physics, 2008-05, Vol.77 (20), Article 205112

2008

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Self-consistency over the charge density in dynamical mean-field theory: A linear muffin-tin implementation and some physical implications

Physical review. B, Condensed matter and materials physics, 2007-12, Vol.76 (23), Article 235101

2007

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The alpha-gamma transition of cerium is entropy driven

Physical review letters, 2006-02, Vol.96 (6), p.066402-066402, Article 066402

2006

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Hybrid functional for correlated electrons in the projector augmented-wave formalism: Study of multiple minima for actinide oxides

Physical review. B, Condensed matter and materials physics, 2009-12, Vol.80 (23), Article 235109

2009

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Diffusionless γ⇄α phase transition in polycrystalline and single-crystal cerium

Physical review letters, 2011-02, Vol.106 (6), p.065701-065701, Article 065701

2011

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Advances in first-principles modelling of point defects in UO 2 : f electron correlations and the issue of local energy minima

Journal of physics. Condensed matter, 2013-08, Vol.25 (33), p.333201

2013

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γ and β cerium: LDA + U calculations of ground-state parameters

Physical review. B, Condensed matter and materials physics, 2008-04, Vol.77 (15), Article 155104

2008

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A self-consistent DFT + DMFT scheme in the projector augmented wave method: applications to cerium, Ce 2 O 3 and Pu 2 O 3 with the Hubbard I solver and comparison to DFT + U

Journal of physics. Condensed matter, 2012-02, Vol.24 (7), p.75604

Amadon, B

2012

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Structural properties and quasiparticle energies of cubic SrO, MgO and SrTiO3

Journal of physics. Condensed matter, 2000-04, Vol.12 (15), p.3671-3688

2000

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Advances in first-principles modelling of point defects in UO sub(2): f electron correlations and the issue of local energy minima

Journal of physics. Condensed matter, 2013-08, Vol.25 (33), p.1-13

2013

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Density functional study of the ternary Si2CN4 and CSi:Si3N4 compounds

The European physical journal. B, Condensed matter physics, 1999-09, Vol.11 (2), p.207-215

1999

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Density functional study of the ternary and compounds

The European physical journal. B, Condensed matter physics, 1999-09, Vol.11 (2), p.207-215

1999

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Diffusionless γ ⇄ α Phase Transition in Polycrystalline and Single-Crystal Cerium

Physical review letters, 2011-02, Vol.106 (6)

2011

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Role of the lattice in the two-step evolution of γ -cerium under pressure

Physical review. B, Condensed matter and materials physics, 2009-10, Vol.80 (13), Article 132103

2009

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Theoretical study of the static screening in insulators: ab initio and model dielectric functions

Journal of physics. Condensed matter, 2002-05, Vol.14 (18), p.4699-4715, Article 306

2002

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Role of the lattice in the two-step evolution of -cerium under pressure

Physical review. B, Condensed matter and materials physics, 2009, Vol.80

2009

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Structural properties and quasiparticule energies of cubic SrO, MgO and SrTiO3

Journal of physics. Condensed matter, 2000, Vol.12 numéro 15, p.3671-3688

2000

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Comparison of Various Metrics of Repetitive Head Impact Exposure And Their Associations With Neurocognition in Collegiate-Aged Athletes

Archives of clinical neuropsychology, 2023-07, Vol.38 (5), p.714-723

2023

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Improved Cosmological Constraints from New, Old, and Combined Supernova Data Sets

The Astrophysical journal, 2008-10, Vol.686 (2), p.749-778

2008

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A self-consistent DFT + DMFT scheme in the projector augmented wave method: applications to cerium, Ce2O3 and Pu2O3 with the Hubbard I solver and comparison to DFT + U

Thermodynamics of the α - γ transition in cerium from first principles

Role of pressure on electronic, magnetic and structural properties at iron’s Curie temperature: a DFT + DMFT study

Advances in first-principles modelling of point defects in UO2: f electron correlations and the issue of local energy minima

ABINIT: First-principles approach to material and nanosystem properties

Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals

Self-consistency over the charge density in dynamical mean-field theory: A linear muffin-tin implementation and some physical implications

The alpha-gamma transition of cerium is entropy driven

Hybrid functional for correlated electrons in the projector augmented-wave formalism: Study of multiple minima for actinide oxides

Diffusionless γ⇄α phase transition in polycrystalline and single-crystal cerium

Advances in first-principles modelling of point defects in UO 2 : f electron correlations and the issue of local energy minima

γ and β cerium: LDA + U calculations of ground-state parameters

A self-consistent DFT + DMFT scheme in the projector augmented wave method: applications to cerium, Ce 2 O 3 and Pu 2 O 3 with the Hubbard I solver and comparison to DFT + U

Structural properties and quasiparticle energies of cubic SrO, MgO and SrTiO3

Recent developments in the ABINIT software package

Advances in first-principles modelling of point defects in UO sub(2): f electron correlations and the issue of local energy minima

Density functional study of the ternary Si2CN4 and CSi:Si3N4 compounds

Density functional study of the ternary and compounds

Diffusionless γ ⇄ α Phase Transition in Polycrystalline and Single-Crystal Cerium

Role of the lattice in the two-step evolution of γ -cerium under pressure

Theoretical study of the static screening in insulators: ab initio and model dielectric functions

Role of the lattice in the two-step evolution of -cerium under pressure

Structural properties and quasiparticule energies of cubic SrO, MgO and SrTiO3

Comparison of Various Metrics of Repetitive Head Impact Exposure And Their Associations With Neurocognition in Collegiate-Aged Athletes

Improved Cosmological Constraints from New, Old, and Combined Supernova Data Sets

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