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Two-component density functional theory within the projector augmented-wave approach: Accurate and self-consistent computations of positron lifetimes and momentum distributions

Physical review. B, Condensed matter and materials physics, 2015-09, Vol.92 (12), Article 125113

2015

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Investigation of the bulk and point defect properties in uranium–plutonium mixed oxides (U,Pu)O2 using DFT+U: Effect of a low americium content

Journal of applied physics, 2022-06, Vol.131 (22)

2022

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First-principles calculations of momentum distributions of annihilating electron-positron pairs in defects in UO2

Journal of physics. Condensed matter, 2017-01, Vol.29 (3), p.035503-035503

2017

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Structural, electronic and energetic properties of uranium-americium mixed oxides U1−yAmyO2 using DFT+U calculations

Journal of physics. Condensed matter, 2019-12, Vol.31 (48)

2019

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DFT + U investigation of charged point defects and clusters in UO2

Journal of physics. Condensed matter, 2014-08, Vol.26 (32), p.325501-325501

2014

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Water adsorption and dissociation on the PuO2(110) surface

Journal of nuclear materials, 2014-08, Vol.451 (1-3), p.28-34

2014

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Fully self-consistent calculations of momentum distributions of annihilating electron-positron pairs in SiC

Physical review. B, 2016-05, Vol.93 (19), Article 195207

2016

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First-principles investigation of the bulk properties of americium dioxide and sesquioxides

Physical review materials, 2019-03, Vol.3 (3), Article 035001

2019

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Structural, thermodynamic, and electronic properties of plutonium oxides from first principles

Physical review. B, Condensed matter and materials physics, 2008-08, Vol.78 (7), Article 075125

2008

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Electron polarons and donor point defects in americium dioxide AmO2

Physical review. B, 2020-01, Vol.101 (2), p.1

2020

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DFT simulations of CO2–HF mixture at extreme conditions: Thermodynamic and chemical properties

Chemical physics letters, 2011-04, Vol.507 (1-3), p.84-88

2011

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Calculation of defect formation energies in UO2

MRS proceedings, 2014, Vol.1645 (1)

2014

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Positron annihilation spectroscopy investigation of vacancy clusters in silicon carbide: Combining experiments and electronic structure calculations

Physical review. B, Condensed matter and materials physics, 2014-04, Vol.89 (15), Article 155203

2014

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Computer simulation study of self irradiation in plutonium

Journal of alloys and compounds, 2007-10, Vol.444, p.310-313

2007

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Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

Journal of physics. Condensed matter, 2019-12, Vol.31 (48), p.485501

2019

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DFT + U investigation of charged point defects and clusters in UO2

Journal of physics. Condensed matter, 2014-08, Vol.26 (32), p.325501

2014

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Multi Scale Study of Self-irradiation Effects in Plutonium Alloys

MRS proceedings, 2008, Vol.1104 (1), Article 1104-NN07-11

2008

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Electron polarons and donor point defects in americium dioxide AmO 2

Physical review. B, 2020-01, Vol.101 (2), Article 024108

2020

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First-principles calculations of momentum distributions of annihilating electron-positron pairs in defects in UO 2

Journal of physics. Condensed matter, 2017-01, Vol.29 (3), p.035503

2017

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Computation of the Peierls stress in tantalum with an extended-range modified embedded atom method potential

Journal of physics. Condensed matter, 2005-03, Vol.17 (12), p.2003-2018

2005

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Erratum: DFT + U investigation of charged point defects and clusters in UO2 (2014 J. Phys.: Condens. Matter 26 325501)

Journal of physics. Condensed matter, 2014-08, Vol.26 (34)

2014

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Erratum: DFT + U investigation of charged point defects and clusters in UO 2 (2014 J. Phys.: Condens. Matter 26 325501)

Journal of physics. Condensed matter, 2014-08, Vol.26 (34), p.349601

2014

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DFT + U investigation of charged point defects and clusters in UO 2

Journal of physics. Condensed matter, 2014-08, Vol.26 (32), p.325501

2014

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Structural, electronic and energetic properties of uranium-americium mixed oxides [Formula: see text] using DFT[Formula: see text] calculations

Journal of physics. Condensed matter, 2019-12, Vol.31 (48), p.485501-485501

2019

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DFT simulations of CO 2–HF mixture at extreme conditions: Thermodynamic and chemical properties

Chemical physics letters, 2011, Vol.507 (1), p.84-88

2011

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Two-component density functional theory within the projector augmented-wave approach: Accurate and self-consistent computations of positron lifetimes and momentum distributions

Investigation of the bulk and point defect properties in uranium–plutonium mixed oxides (U,Pu)O2 using DFT+U: Effect of a low americium content

First-principles calculations of momentum distributions of annihilating electron-positron pairs in defects in UO2

Structural, electronic and energetic properties of uranium-americium mixed oxides U1−yAmyO2 using DFT+U calculations

DFT + U investigation of charged point defects and clusters in UO2

Water adsorption and dissociation on the PuO2(110) surface

Fully self-consistent calculations of momentum distributions of annihilating electron-positron pairs in SiC

First-principles investigation of the bulk properties of americium dioxide and sesquioxides

Structural, thermodynamic, and electronic properties of plutonium oxides from first principles

Electron polarons and donor point defects in americium dioxide AmO2

DFT simulations of CO2–HF mixture at extreme conditions: Thermodynamic and chemical properties

Calculation of defect formation energies in UO2

Positron annihilation spectroscopy investigation of vacancy clusters in silicon carbide: Combining experiments and electronic structure calculations

Computer simulation study of self irradiation in plutonium

Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

DFT + U investigation of charged point defects and clusters in UO2

Multi Scale Study of Self-irradiation Effects in Plutonium Alloys

Electron polarons and donor point defects in americium dioxide AmO 2

First-principles calculations of momentum distributions of annihilating electron-positron pairs in defects in UO 2

Computation of the Peierls stress in tantalum with an extended-range modified embedded atom method potential

Erratum: DFT + U investigation of charged point defects and clusters in UO2 (2014 J. Phys.: Condens. Matter 26 325501)

Erratum: DFT + U investigation of charged point defects and clusters in UO 2 (2014 J. Phys.: Condens. Matter 26 325501)

DFT + U investigation of charged point defects and clusters in UO 2

Structural, electronic and energetic properties of uranium-americium mixed oxides [Formula: see text] using DFT[Formula: see text] calculations

DFT simulations of CO 2–HF mixture at extreme conditions: Thermodynamic and chemical properties

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