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Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction

Scientific reports, 2017-08, Vol.7 (1), p.7344-10, Article 7344

2017

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Linear optical properties of solids within the full-potential linearized augmented planewave method

Computer physics communications, 2006-07, Vol.175 (1), p.1-14

2006

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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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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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Introducing a FAIR RDM infrastructure for electron microscopy and other materials science data

BIO web of conferences, 2024, Vol.129, p.10024

2024

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All-electron many-body approach to resonant inelastic X-ray scattering

Physical chemistry chemical physics : PCCP, 2022-07, Vol.24 (29), p.17439-17448

2022

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Polarized absorbance and Davydov splitting in bulk and thin-film pentacene polymorphs

Physical chemistry chemical physics : PCCP, 2018-12, Vol.2 (47), p.29724-29736

2018

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ElaStic: A tool for calculating second-order elastic constants from first principles

Computer physics communications, 2013-08, Vol.184 (8), p.1861-1873

2013

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Time-dependent density functional theory versus Bethe-Salpeter equation: an all-electron study

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (22), p.4451-4457

2009

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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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Assessment of approaches for dispersive forces employing semihydrogenated graphene as a case study

Computational materials science, 2021-01, Vol.186, p.109940, Article 109940

2021

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The influence of interstitial carbon on the γ-surface in austenite

Acta materialia, 2013-01, Vol.61 (1), p.341-349

2013

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Graphene-modulated photo-absorption in adsorbed azobenzene monolayers

Physical chemistry chemical physics : PCCP, 2017-02, Vol.19 (8), p.6196-6205

2017

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How big is big data?

Faraday discussions, 2024-09

2024

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High performance solution of skew-symmetric eigenvalue problems with applications in solving the Bethe-Salpeter eigenvalue problem

Parallel computing, 2020-08, Vol.96, p.102639, Article 102639

2020

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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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The LDA-1/2 method implemented in the exciting code

Computer physics communications, 2017-11, Vol.220, p.263-268

2017

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First-principles study on lattice instabilities and structural phase transitions in Ba doped La2CuO4

Physica. C, Superconductivity, 2015-10, Vol.517, p.20-25

2015

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FHI-gap: A code based on the all-electron augmented plane wave method

Computer physics communications, 2013-02, Vol.184 (2), p.348-366

2013

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2p x-ray absorption spectroscopy of 3d transition metal systems

Journal of electron spectroscopy and related phenomena, 2021-05, Vol.249, p.147061, Article 147061

2021

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FHI-gap: A GW code based on the all-electron augmented plane wave method

Computer physics communications, 2013-02, Vol.184 (2), p.348-366

2013

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noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique

Computer physics communications, 2011-08, Vol.182 (8), p.1657-1662

2011

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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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A full-band FPLAPW plus k center dot p-method for solving the Kohn-Sham equation

Computer physics communications, 2007-08, Vol.177 (3), p.280

2007

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Excitons in organic semiconductors

Comptes rendus. Physique, 2009-07, Vol.10 (6), p.504-513

2009

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Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction

Linear optical properties of solids within the full-potential linearized augmented planewave method

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

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

Introducing a FAIR RDM infrastructure for electron microscopy and other materials science data

All-electron many-body approach to resonant inelastic X-ray scattering

Polarized absorbance and Davydov splitting in bulk and thin-film pentacene polymorphs

ElaStic: A tool for calculating second-order elastic constants from first principles

Time-dependent density functional theory versus Bethe-Salpeter equation: an all-electron study

LayerOptics: Microscopic modeling of optical coefficients in layered materials

Assessment of approaches for dispersive forces employing semihydrogenated graphene as a case study

The influence of interstitial carbon on the γ-surface in austenite

Graphene-modulated photo-absorption in adsorbed azobenzene monolayers

How big is big data?

High performance solution of skew-symmetric eigenvalue problems with applications in solving the Bethe-Salpeter eigenvalue problem

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

The LDA-1/2 method implemented in the exciting code

First-principles study on lattice instabilities and structural phase transitions in Ba doped La2CuO4

FHI-gap: A code based on the all-electron augmented plane wave method

2p x-ray absorption spectroscopy of 3d transition metal systems

FHI-gap: A GW code based on the all-electron augmented plane wave method

noloco: An efficient implementation of van der Waals density functionals based on a Monte-Carlo integration technique

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

A full-band FPLAPW plus k center dot p-method for solving the Kohn-Sham equation

Excitons in organic semiconductors

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