Karlheinz Schwarz

TU Wien — Austria

Physics and Astronomy · Physical Sciences

78h-index35.5kcitations354works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(84), Rare-earth and actinide compounds(67), Magnetic and transport properties of perovskites and related materials(40), Physics of Superconductivity and Magnetism(36), Boron and Carbon Nanomaterials Research(36)

Publications353 total

First-principles calculations of strontium on Si(001)
WORLD SCIENTIFIC eBooks·2025
Light emission from direct band gap germanium containing split-interstitial defects
Physical review. B./Physical review. B·2021· 19 citedOpen Access
Shortcomings of meta-GGA functionals when describing magnetism
Physical review. B./Physical review. B·2020· 51 citedOpen Access
WIEN2k: An APW+lo program for calculating the properties of solids
The Journal of Chemical Physics·2020· 2.4k citedOpen Access
<b>Application-Driven Quantum and Statistical Physics. A Short Course for Future Scientists and Engineers. Volume 1: Foundations. Volume 2: Equilibrium</b>. By Jean-Michel Gillet. World Scientific, 2018. Hardcover, price GBP 86.00 each. Volume 1: pp. 300, ISBN 978-1-78634-554-7. Volume 2: pp. 336, ISBN 978-1-78634-557-8.
Acta Crystallographica Section A Foundations and Advances·2020Open Access
WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties
2019· 3.4k cited
Frontispiece: Quantum Crystallography: Current Developments and Future Perspectives
Chemistry - A European Journal·2018· 2 cited
DFT calculations of solids in the ground state
2018· 3 cited
Quantum Crystallography: Current Developments and Future Perspectives
Chemistry - A European Journal·2018· 149 citedOpen Access
Challenges for Theory and Computation
Computation·2017· 2 citedOpen Access
<scp>DFT</scp> Calculations for Real Solids
2017· 4 cited
Investigation of the Optical and Excitonic Properties of the Visible Light-Driven Photocatalytic BiVO<sub>4</sub> Material
Chemistry of Materials·2017· 42 citedOpen Access
Special Issue “50th Anniversary of the Kohn–Sham Theory—Advances in Density Functional Theory”
Computation·2016· 3 citedOpen Access
Obituary for Walter Kohn (1923–2016)
Computation·2016· 3 citedOpen Access
Reproducibility in density functional theory calculations of solids
Science·2016· 1.6k citedOpen Access
How Close Are the Slater and Becke–Roussel Potentials in Solids?
Journal of Chemical Theory and Computation·2015· 16 citedOpen Access
Computation of Materials Properties at the Atomic Scale
InTech eBooks·2015· 8 citedOpen Access
Parallel minimization via Geneva, ScaLAPACK and MPI on the GSI cluster
GSI Repository (GSI Helmholtzzentrum für Schwerionenforschung)·2015Open Access
IEC 61850: A Single Standard for the Engineering, Protection, Automation, and Supervision of Power Systems on All Voltage Levels
2014· 1 cited
Standard Message Specification for Industrial Automation Systems: ISO 9506 (MMS)
2014· 2 cited
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Frequent Co-authors

Peter Blaha(36), Robert Laskowski(8), Georg K. H. Madsen(6), Fabien Tran(6), P. Mohn(4), V. L. Moruzzi(3), Philipp Dufek(3), P. Novák(3), P. Sorantin(2), S. B. Trickey(2), J. Luitz(2), Laurence D. Marks(2), Claudia Draxl(2), Paolo Giannozzi(2), Lars Nordström(2), Matthias Scheffler(2), Peter E. Blöchl(2), Thomas Greber(2), Dieter Kvasnicka(1), Robert Laskowsk(1)