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exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

Journal of physics. Condensed matter, 2014-09, Vol.26 (36), p.363202-363202

2014

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Estimating excitonic effects in the absorption spectra of solids: problems and insight from a guided iteration scheme

Physical review letters, 2015-04, Vol.114 (14), p.146402-146402, Article 146402

2015

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Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys

New journal of physics, 2021-07, Vol.23 (7), p.73048

2021

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Microhartree precision in density functional theory calculations

Physical review. B, 2018-04, Vol.97 (16), Article 161105

2018

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Optical spectra from molecules to crystals: Insight from many-body perturbation theory

Physical review. B, Condensed matter and materials physics, 2015-11, Vol.92 (20), Article 205126

2015

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Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene

Physical review. B, 2020-04, Vol.101 (16), p.1, Article 165102

2020

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LayerOptics: Microscopic modeling of optical coefficients in layered materials

Computer physics communications, 2016-04, Vol.201, p.119-125

2016

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Stability and electronic properties of phosphorene oxides: from 0-dimensional to amorphous 2-dimensional structures

Nanoscale, 2017-02, Vol.9 (7), p.2428-2435

2017

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Polymorphism in α-sexithiophene crystals: relative stability and transition path

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (21), p.14603-14609

2016

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Phonon-assisted damping of plasmons in three- and two-dimensional metals

Physical review. B, 2018-05, Vol.97 (20), Article 205118

2018

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Dynamic structure factors of Cu, Ag, and Au: Comparative study from first principles

Physical review. B, Condensed matter and materials physics, 2013-11, Vol.88 (19), Article 195124

2013

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Critical assessment of G0W0 calculations for 2D materials: the example of monolayer MoS2

npj computational materials, 2024-04, Vol.10 (1), p.77, Article 77

2024

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Stacking-fault energy and anti-Invar effect in Fe-Mn alloy from first principles

Physical review. B, Condensed matter and materials physics, 2012-08, Vol.86 (6), p.060201, Article 060201

2012

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First-principles calculation of X-ray dichroic spectra within the full-potential linearized augmented planewave method: An implementation into the Wien2k code

Computer physics communications, 2012-03, Vol.183 (3), p.628-636

2012

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Photoisomerization for a molecular switch in contact with a surface

Physical review. B, Condensed matter and materials physics, 2012-01, Vol.85 (3), Article 035410

2012

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Probing the LDA-1/2 method as a starting point for G0W0 calculations

Physical review. B, 2016-12, Vol.94 (23), p.235141

2016

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ATATIEN2k: An interface for cluster expansion based on the linearized augmented planewave method

Computer physics communications, 2010-05, Vol.181 (5), p.913-920

2010

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exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

Estimating excitonic effects in the absorption spectra of solids: problems and insight from a guided iteration scheme

Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys

Microhartree precision in density functional theory calculations

Optical spectra from molecules to crystals: Insight from many-body perturbation theory

Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene

LayerOptics: Microscopic modeling of optical coefficients in layered materials

Stability and electronic properties of phosphorene oxides: from 0-dimensional to amorphous 2-dimensional structures

Polymorphism in α-sexithiophene crystals: relative stability and transition path

Phonon-assisted damping of plasmons in three- and two-dimensional metals

Dynamic structure factors of Cu, Ag, and Au: Comparative study from first principles

Critical assessment of G0W0 calculations for 2D materials: the example of monolayer MoS2

Stacking-fault energy and anti-Invar effect in Fe-Mn alloy from first principles

First-principles calculation of X-ray dichroic spectra within the full-potential linearized augmented planewave method: An implementation into the Wien2k code

Photoisomerization for a molecular switch in contact with a surface

Probing the LDA-1/2 method as a starting point for G0W0 calculations

ATATIEN2k: An interface for cluster expansion based on the linearized augmented planewave method

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