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Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)

New journal of physics, 2009-05, Vol.11 (5), p.053010

2009

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Intra- and Intermolecular Band Dispersion in an Organic Crystal

Science (American Association for the Advancement of Science), 2007-07, Vol.317 (5836), p.351-355

2007

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Step-flow growth in homoepitaxy of β-Ga2O3 (100)—The influence of the miscut direction and faceting

APL materials, 2019-02, Vol.7 (2), p.022515-022515-7

2019

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Transport coefficients from first-principles calculations

Physical review. B, Condensed matter, 2003-09, Vol.68 (12), Article 125210

2003

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Second-Harmonic Optical Response from First Principles

Physica scripta, 2004-01, Vol.2004, p.128

2004

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Titanium induced polarity inversion in ordered (In,Ga)N/GaN nanocolumns

Nanotechnology, 2016-02, Vol.27 (6), p.065705-065705

2016

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Orbital tomography: Deconvoluting photoemission spectra of organic molecules

Physical review. B, Condensed matter and materials physics, 2011-12, Vol.84 (23), Article 235427

2011

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The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment

Journal of physics. Condensed matter, 2013-08, Vol.25 (31), p.315501-315501

2013

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Near-edge structures from first principles all-electron Bethe–Salpeter equation calculations

Journal of physics. Condensed matter, 2009-03, Vol.21 (10), p.104205-104205 (6)

2009

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First-principles approach to noncollinear magnetism: towards spin dynamics

Physical review letters, 2007-05, Vol.98 (19), p.196405-196405, Article 196405

2007

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All-electron exact exchange treatment of semiconductors : Effect of core-valence interaction on band-gap and d-band position

Physical review letters, 2005-09, Vol.95 (13), p.136402.1-136402.4, Article 136402

2005

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Analytical representation of dynamical quantities in GW from a matrix resolvent

Physical review. B, 2017-12, Vol.96 (24)

2017

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Electronic band structure of pentacene: An experimental and theoretical study

Physical review. B, Condensed matter and materials physics, 2008-03, Vol.77 (11), Article 115312

2008

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Lattice vibrations in CaV2O5 and their manifestations: a theoretical study based on density functional theory

New journal of physics, 2009-11, Vol.11, p.113009

2009

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Oligoacene exciton binding energies : Their dependence on molecular size

Physical review. B, Condensed matter and materials physics, 2005-02, Vol.71 (8), p.081202.1-081202.4, Article 081202

2005

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Augmented Planewave Methods

Physica scripta, 2004-01, Vol.2004, p.48

Ambrosch-Draxl, C

2004

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First-principles calculation of superconductivity in hole-doped LiBC: T c = 65 K

Physical review. B, Condensed matter, 2003-07, Vol.68 (2), Article 020504

2003

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Angle-resolved photoemission of chain-like molecules: the electronic band structure of sexithiophene and sexiphenyl

Applied physics. A, Materials science & processing, 2009-04, Vol.95 (1), p.101-105

2009

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Chain-length-dependent intermolecular packing in polyphenylenes: a high pressure study

Journal of physics. Condensed matter, 2003-05, Vol.15 (20), p.3375-3389

2003

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Crystal structure determination from two-dimensional powders: A combined experimental and theoretical approach

The European physical journal. ST, Special topics, 2009-02, Vol.167, p.59-65

2009

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Optical absorption spectra of semiconductors and insulators including electron-hole correlations: An ab initio study within the LAPW method

Physical review. B, Condensed matter, 2002-10, Vol.66 (16), Article 165105

2002

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Roadmap on Machine learning in electronic structure

Electronic Structure, 2022-06, Vol.4 (2), p.23004

2022

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Structure, morphology, and optical properties of highly ordered films of para -sexiphenyl

Physical review. B, Condensed matter, 2000-06, Vol.61 (24), p.16538-16549

2000

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Optical properties, electron-phonon coupling, and Raman scattering of vanadium ladder compounds

Physical review. B, Condensed matter and materials physics, 2004-09, Vol.70 (12), p.125107.1-125107.10, Article 125107

2004

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All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures

Physical review. B, Condensed matter and materials physics, 2009-01, Vol.79 (4), Article 041102

2009

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Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)

Intra- and Intermolecular Band Dispersion in an Organic Crystal

Step-flow growth in homoepitaxy of β-Ga2O3 (100)—The influence of the miscut direction and faceting

Transport coefficients from first-principles calculations

Second-Harmonic Optical Response from First Principles

Titanium induced polarity inversion in ordered (In,Ga)N/GaN nanocolumns

Orbital tomography: Deconvoluting photoemission spectra of organic molecules

The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment

Near-edge structures from first principles all-electron Bethe–Salpeter equation calculations

First-principles approach to noncollinear magnetism: towards spin dynamics

All-electron exact exchange treatment of semiconductors : Effect of core-valence interaction on band-gap and d-band position

Analytical representation of dynamical quantities in GW from a matrix resolvent

Electronic band structure of pentacene: An experimental and theoretical study

Lattice vibrations in CaV2O5 and their manifestations: a theoretical study based on density functional theory

Oligoacene exciton binding energies : Their dependence on molecular size

Augmented Planewave Methods

First-principles calculation of superconductivity in hole-doped LiBC: T c = 65 K

Angle-resolved photoemission of chain-like molecules: the electronic band structure of sexithiophene and sexiphenyl

Chain-length-dependent intermolecular packing in polyphenylenes: a high pressure study

Crystal structure determination from two-dimensional powders: A combined experimental and theoretical approach

Optical absorption spectra of semiconductors and insulators including electron-hole correlations: An ab initio study within the LAPW method

Roadmap on Machine learning in electronic structure

Structure, morphology, and optical properties of highly ordered films of para -sexiphenyl

Optical properties, electron-phonon coupling, and Raman scattering of vanadium ladder compounds

All-electron Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures

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