Karlheinz Schwarz
Affiliations: | Technische Universität Wien |
Website:
http://info.tuwien.ac.at/theochem/members/kschwarz/index.htmlGoogle:
"Karlheinz Schwarz"Bio:
http://www.genealogy-theochem.de/view.php?id=512
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Parents
Sign in to add mentor| Adolf Neckel | grad student | 1968 | Universität Wien | |
| (Quantenchemische Berechnung der Energiezustände von Scandium-Carbid) | ||||
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Publications
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| Blaha P, Schwarz K, Tran F, et al. (2020) WIEN2k: An APW+lo program for calculating the properties of solids. The Journal of Chemical Physics. 152: 074101 |
| Lejaeghere K, Bihlmayer G, Björkman T, et al. (2016) Reproducibility in density functional theory calculations of solids. Science (New York, N.Y.). 351: aad3000 |
| Tran F, Blaha P, Schwarz K. (2016) How close are the Slater and Becke-Roussel potentials in solids? Journal of Chemical Theory and Computation. 11: 4717-26 |
| Rettenwander D, Blaha P, Laskowski R, et al. (2014) DFT Study of the Role of Al(3+) in the Fast Ion-Conductor Li7-3x Al(3+) x La3Zr2O12 Garnet. Chemistry of Materials : a Publication of the American Chemical Society. 26: 2617-2623 |
| Rocquefelte X, Schwarz K, Blaha P, et al. (2013) Room-temperature spin-spiral multiferroicity in high-pressure cupric oxide. Nature Communications. 4: 2511 |
| Rocquefelte X, Schwarz K, Blaha P. (2012) Theoretical investigation of the magnetic exchange interactions in copper(II) oxides under chemical and physical pressures. Scientific Reports. 2: 759 |
| Rocquefelte X, Schwarz K, Blaha P. (2011) Comment on "High-Tc ferroelectricity emerging from magnetic degeneracy in cupric oxide". Physical Review Letters. 107: 239701; discussion 2 |
| Berner S, Corso M, Widmer R, et al. (2007) Boron nitride nanomesh: functionality from a corrugated monolayer. Angewandte Chemie (International Ed. in English). 46: 5115-9 |
| Laskowski R, Blaha P, Gallauner T, et al. (2007) Single-layer model of the hexagonal boron nitride nanomesh on the Rh(111) surface. Physical Review Letters. 98: 106802 |