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Optical Constants and Inelastic Electron-Scattering Data for 17 Elemental Metals

Journal of physical and chemical reference data, 2009-12, Vol.38 (4), p.1013-1092

2009

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First-principles study of Pd-alloyed Cu(111) surface in hydrogen atmosphere at realistic temperatures

Journal of applied physics, 2020-10, Vol.128 (14)

2020

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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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A consistent picture of excitations in cubic BaSnO3 revealed by combining theory and experiment

Communications materials, 2022-03, Vol.3 (1), p.1-10, Article 12

2022

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Excitation pathways in resonant inelastic x-ray scattering of solids

Physical review research, 2020-10, Vol.2 (4), Article 042003

2020

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Attosecond state-resolved carrier motion in quantum materials probed by soft x-ray XANES

Applied physics reviews, 2021-03, Vol.8 (1)

2021

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Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride

Physical review. B, 2018-06, Vol.97 (24), Article 241114

2018

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CELL: a Python package for cluster expansion with a focus on complex alloys

npj computational materials, 2024-08, Vol.10 (1), p.195-20, Article 195

2024

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Dislocation-core symmetry and slip planes in tungsten alloys: Ab initio calculations and microcantilever bending experiments

Acta materialia, 2012, Vol.60 (2), p.748-758

2012

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Hybrid Organic-Inorganic Perovskites as Promising Substrates for Pt Single-Atom Catalysts

Physical review letters, 2019-02, Vol.122 (4), p.046101-046101, Article 046101

2019

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Relativistic effects on the linear optical properties of Au, Pt, Pb and W

New journal of physics, 2010-10, Vol.12 (10), p.103048

2010

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Numerical quality control for DFT-based materials databases

npj computational materials, 2022-04, Vol.8 (1), p.1-8, Article 69

2022

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Reconstruction of Molecular Orbital Densities from Photoemission Data

Science (American Association for the Advancement of Science), 2009-10, Vol.326 (5953), p.702-706

2009

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Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects

Physical review. B, 2021-05, Vol.103 (19), p.1, Article 195128

2021

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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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Importance of van der Waals interaction for organic molecule-metal junctions: adsorption of thiophene on Cu(110) as a prototype

Physical review letters, 2007-10, Vol.99 (17), p.176401-176401, Article 176401

2007

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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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Fingerprint of Fractional Charge Transfer at the Metal/Organic Interface

Journal of physical chemistry. C, 2015-06, Vol.119 (22), p.12538-12544

2015

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Electronic Interactions between "Pea" and "Pod": The Case of Oligothiophenes Encapsulated in Carbon Nanotubes

Small (Weinheim an der Bergstrasse, Germany), 2011-07, Vol.7 (13), p.1807-1815

2011

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Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation

Advanced science, 2024-08, Vol.11 (31), p.e2403765-n/a

2024

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Light Controls Polymorphism in Thin Films of Sexithiophene

Crystal growth & design, 2015-03, Vol.15 (3), p.1319-1324

2015

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Speeding up all-electron real-time TDDFT demonstrated by the exciting package

Computer physics communications, 2024-11, Vol.304, p.109292, Article 109292

2024

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Characterization of Step-Edge Barriers in Organic Thin-Film Growth

Science (American Association for the Advancement of Science), 2008-07, Vol.321 (5885), p.108-111

2008

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Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers

Journal of physics. Condensed matter, 2017-10, Vol.29 (39), p.394005-394005

2017

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Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers

Physical review. B, Condensed matter and materials physics, 2015-11, Vol.92 (20), Article 205105

2015

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Optical Constants and Inelastic Electron-Scattering Data for 17 Elemental Metals

First-principles study of Pd-alloyed Cu(111) surface in hydrogen atmosphere at realistic temperatures

Microhartree precision in density functional theory calculations

A consistent picture of excitations in cubic BaSnO3 revealed by combining theory and experiment

Excitation pathways in resonant inelastic x-ray scattering of solids

Attosecond state-resolved carrier motion in quantum materials probed by soft x-ray XANES

Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride

CELL: a Python package for cluster expansion with a focus on complex alloys

Dislocation-core symmetry and slip planes in tungsten alloys: Ab initio calculations and microcantilever bending experiments

Hybrid Organic-Inorganic Perovskites as Promising Substrates for Pt Single-Atom Catalysts

Relativistic effects on the linear optical properties of Au, Pt, Pb and W

Numerical quality control for DFT-based materials databases

Reconstruction of Molecular Orbital Densities from Photoemission Data

Theoretical description of optical and x-ray absorption spectra of MgO including many-body effects

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

Importance of van der Waals interaction for organic molecule-metal junctions: adsorption of thiophene on Cu(110) as a prototype

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

Fingerprint of Fractional Charge Transfer at the Metal/Organic Interface

Electronic Interactions between "Pea" and "Pod": The Case of Oligothiophenes Encapsulated in Carbon Nanotubes

Right On Time: Ultrafast Charge Separation Before Hybrid Exciton Formation

Light Controls Polymorphism in Thin Films of Sexithiophene

Speeding up all-electron real-time TDDFT demonstrated by the exciting package

Characterization of Step-Edge Barriers in Organic Thin-Film Growth

Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayers

Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers

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