Claudia Ambrosch-Draxl

发表

High Performance Solution of Skew-symmetric Eigenvalue Problems with Applications in Solving the Bethe-Salpeter Eigenvalue Problem pdf

Peter Benner, Andreas Marek, Claudia Ambrosch-Draxl, 2019, Parallel Comput..

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

Claudia Ambrosch-Draxl, Rostam Golesorkhtabar, Pasquale Pavone, 2013, Comput. Phys. Commun..

Challenges for Verifying and Validating Scientific Software in Computational Materials Science

Thomas Vogel, Stephan Druskat, Markus Scheidgen, 2019, 2019 IEEE/ACM 14th International Workshop on Software Engineering for Science (SE4Science).

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

Claudia Ambrosch-Draxl, Ronaldo Rodrigues Pela, Andris Gulans, 2017, Comput. Phys. Commun..

LayerOptics: Microscopic modeling of optical coefficients in layered materials

Claudia Ambrosch-Draxl, Christian Vorwerk, Caterina Cocchi, 2015, Comput. Phys. Commun..

A full-band FPLAPW+k.p-method for solving the Kohn-Sham equation

Claudia Ambrosch-Draxl, Clas Persson, C. Ambrosch-Draxl, 2007, Comput. Phys. Commun..

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

Hong Jiang, Claudia Ambrosch-Draxl, Matthias Scheffler, 2013, Comput. Phys. Commun..

Fast optical absorption spectra calculations for periodic solid state systems pdf

Claudia Ambrosch-Draxl, Christian Vorwerk, L. Lin, 2019, Communications in Applied Mathematics and Computational Science.

ATAT@WIEN2k: An interface for cluster expansion based on the linearized augmented planewave method

Claudia Ambrosch-Draxl, Jürgen Spitaler, Peter Puschnig, 2010, Comput. Phys. Commun..

Influence of the molecular geometry on the photoexcitations of highly emissive organic semiconductors

Claudia Ambrosch-Draxl, Chris Martin, Meera Chandrasekhar, 1999, Optics & Photonics.

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

Jorge O. Sofo, Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, 2004, Comput. Phys. Commun..

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

Claudia Ambrosch-Draxl, Lorenzo Pardini, Franca Manghi, 2011, Comput. Phys. Commun..

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

Claudia Ambrosch-Draxl, Peter Puschnig, Dmitrii Nabok, 2011, Comput. Phys. Commun..

GIMS: Graphical Interface for Materials Simulations

Claudia Ambrosch-Draxl, Matthias Scheffler, Volker Blum, 2021, J. Open Source Softw..

Oligoacene exciton binding energies: Their dependence on molecular size

Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, K. Hummer, 2005 .

First-principles calculation of hot-electron scattering in metals

Claudia Ambrosch-Draxl, Ulrich Hohenester, Florian Ladstädter, 2004 .

Transport coefficients from first-principles calculations

Jorge O. Sofo, Claudia Ambrosch-Draxl, Timo Thonhauser, 2003 .

Augmented Planewave Methods

Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, 2004 .

Encapsulation of Conjugated Oligomers in Single‐Walled Carbon Nanotubes: Towards Nanohybrids for Photonic Devices

Claudia Ambrosch-Draxl, Jia Gao, Enzo Menna, 2010, Advanced materials.

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

Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, Kathrin Glantschnig, 2010 .

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

Claudia Ambrosch-Draxl, Egbert Zojer, Peter Puschnig, 2009 .

Stress and pressure within the linearized-augmented plane-wave method

David J. Singh, Claudia Ambrosch-Draxl, Timo Thonhauser, 2002 .

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

Claudia Ambrosch-Draxl, Peter Puschnig, Dmitrii Nabok, 2007, Physical review letters.

Wannier interpolation scheme for phonon-induced potentials: Application to bulk MgB 2 , W, and the ( 1 × 1 ) H-covered W(110) surface

Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, A. Eiguren, 2008 .

Second-Harmonic Optical Response from First Principles

Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, S. Sharma, 2003, cond-mat/0305016.

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

Claudia Ambrosch-Draxl, Peter Puschnig, Isao Tanaka, 2009 .

Lowest optical excitations in molecular crystals: bound excitons versus free electron-hole pairs in anthracene.

Claudia Ambrosch-Draxl, Peter Puschnig, C. Ambrosch-Draxl, 2004, Physical review letters.

Suppression of electron-hole correlations in 3D polymer materials.

Claudia Ambrosch-Draxl, Peter Puschnig, C. Ambrosch-Draxl, 2002, Physical review letters.

The role of polymorphism in organic thin films: oligoacenes investigated from first principles

Claudia Ambrosch-Draxl, Peter Puschnig, Christian Meisenbichler, 2009 .

Optical response of high temperature superconductors by full potential LAPW band structure calculations

Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, P. Knoll, 1994 .

Electronic properties of oligoacenes from first principles

Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, K. Hummer, 2005 .

Van der Waals Interactions Between Organic Adsorbates and at Organic/Inorganic Interfaces

Claudia Ambrosch-Draxl, Alexandre Tkatchenko, Egbert Zojer, 2010 .

Force calculation and atomic-structure optimization for the full-potential linearized augmented plane-wave code WIEN

Claudia Ambrosch-Draxl, Matthias Scheffler, Bernd Kohler, 1995, mtrl-th/9511002.

Reconstruction of Molecular Orbital Densities from Photoemission Data

Stephen Berkebile, Claudia Ambrosch-Draxl, Peter Puschnig, 2009, Science.

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

Claudia Ambrosch-Draxl, C. Ambrosch-Draxl, Stephan Sagmeister, 2009, Physical chemistry chemical physics : PCCP.

Ab‐initio study of excitonic effects in conventional and organic semiconductors

Giovanni Bussi, Claudia Ambrosch-Draxl, Niels Egede Christensen, 2005 .