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822 Publications
2013 | Journal Article | LibreCat-ID: 13517
Jesser, A., Rohrmüller, M., Schmidt, W. G., & Herres-Pawlis, S. (2013). Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†. Journal of Computational Chemistry, 35(1–2), 1–17. https://doi.org/10.1002/jcc.23449
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13521
Sanna, S., Rode, S., Hölscher, R., Klassen, S., Marutschke, C., Kobayashi, K., Yamada, H., Schmidt, W. G., & Kühnle, A. (2013). Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces. Physical Review B, 88. https://doi.org/10.1103/physrevb.88.115422
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13522
Aldahhak, H., Schmidt, W. G., & Rauls, E. (2013). Adsorption of PTCDA on NaCl(100) and KCl(100). Surface Science, 617, 242–248. https://doi.org/10.1016/j.susc.2013.08.003
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13519
Riefer, A., Sanna, S., & Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. Ferroelectrics, 447, 78–85. https://doi.org/10.1080/00150193.2013.821904
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13528
George, B. M., Behrends, J., Schnegg, A., Schulze, T. F., Fehr, M., Korte, L., Rech, B., Lips, K., Rohrmüller, M., Rauls, E., Schmidt, W. G., & Gerstmann, U. (2013). Atomic Structure of Interface States in Silicon Heterojunction Solar Cells. Physical Review Letters, 110(13). https://doi.org/10.1103/physrevlett.110.136803
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13527
Rohrmüller, M., Herres-Pawlis, S., Witte, M., & Schmidt, W. G. (2013). Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory. Journal of Computational Chemistry, 34, 1035–1045. https://doi.org/10.1002/jcc.23230
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13525 | 
Riefer, A., Sanna, S., Schindlmayr, A., & Schmidt, W. G. (2013). Optical response of stoichiometric and congruent lithium niobate from first-principles calculations. Physical Review B, 87(19), Article 195208. https://doi.org/10.1103/PhysRevB.87.195208
LibreCat
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| DOI
| WoS
2013 | Journal Article | LibreCat-ID: 15867
Tautz, R., Da Como, E., Wiebeler, C., Soavi, G., Dumsch, I., Fröhlich, N., Grancini, G., Allard, S., Scherf, U., Cerullo, G., Schumacher, S., & Feldmann, J. (2013). Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length. Journal of the American Chemical Society, 4282–4290. https://doi.org/10.1021/ja309252a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15866
Ardizzone, V., Lewandowski, P., Luk, M. H., Tse, Y. C., Kwong, N. H., Lücke, A., Abbarchi, M., Baudin, E., Galopin, E., Bloch, J., Lemaitre, A., Leung, P. T., Roussignol, P., Binder, R., Tignon, J., & Schumacher, S. (2013). Formation and control of Turing patterns in a coherent quantum fluid. Scientific Reports. https://doi.org/10.1038/srep03016
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15868
Luk, M. H., Tse, Y. C., Kwong, N. H., Leung, P. T., Lewandowski, P., Binder, R., & Schumacher, S. (2013). Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching. Physical Review B. https://doi.org/10.1103/physrevb.87.205307
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15871
Liu, H., Schumacher, S., & Meier, T. (2013). Selection rules and linear absorption spectra of carbon nanotubes in axial magnetic fields. Physical Review B, 88(3), Article 035429. https://doi.org/10.1103/physrevb.88.035429
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15870
Ling, S., Schumacher, S., Galbraith, I., & Paterson, M. J. (2013). Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes. The Journal of Physical Chemistry C, 6889–6895. https://doi.org/10.1021/jp401359a
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13819
Riefer, A., Sanna, S., & Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations. Ferroelectrics, 447, 78–85. https://doi.org/10.1080/00150193.2013.821904
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, A., Rohrmüller, M., Landmann, M., Sanna, S., Rauls, E., Vollmers, N. J., Hölscher, R., Witte, M., Li, Y., Gerstmann, U., Schindlmayr, A., & Schmidt, W. G. (2013). Lithium niobate dielectric function and second-order polarizability tensor from massively parallel ab initio calculations. In W. E. Nagel, D. H. Kröner, & M. M. Resch (Eds.), High Performance Computing in Science and Engineering ‘13 (pp. 93–104). Springer. https://doi.org/10.1007/978-3-319-02165-2_8
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| DOI
| WoS
2012 | Conference Paper | LibreCat-ID: 15985
Reuter, C., Frantz, M., Lauter, C., Block, H., & Tröster, T. (2012). Simulation and testing of hybrid structures consisting of press-hardened steel and CFRP. Presented at the 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy.
LibreCat
2012 | Conference Paper | LibreCat-ID: 15987
Lauter, C., Frantz, M., Kohler, J. P., & Tröster, T. (2012). Crash tests of hybrid structures consisting of sheet metal and local CFRP reinforcements. Presented at the 15th European Conference on Composite Materials (ECCM15), Venice, Italy.
LibreCat
2012 | Journal Article | LibreCat-ID: 22953
Reichelt, M., Walther, A., & Meier, T. (2012). Tailoring the high-harmonic emission in two-level systems and semiconductors by pulse shaping. Journal of the Optical Society of America B, 29(2), Article A36. https://doi.org/10.1364/josab.29.000a36
LibreCat
| DOI
2012 | Conference Paper | LibreCat-ID: 15986
Gorny, B., Hankeln, F., Lauter, C., Schmidt, H. C., Damerow, U., Mahnken, R., Maier, H. J., Tröster, T., & Homberg, W. (2012). Simulation and manufacturing of deep drawn parts reinforced by carbon fibre prepregs. 1st International Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy.
LibreCat
2012 | Journal Article | LibreCat-ID: 13546
Riefer, A., Rauls, E., Schmidt, W. G., Eberhard, J., Stoll, I., & Mattay, J. (2012). 2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response. Physical Review B, 85(16). https://doi.org/10.1103/physrevb.85.165202
LibreCat
| DOI
2012 | Journal Article | LibreCat-ID: 13545
Landmann, M., Rauls, E., & Schmidt, W. G. (2012). The electronic structure and optical response of rutile, anatase and brookite TiO2. Journal of Physics: Condensed Matter, 24, Article 195503. https://doi.org/10.1088/0953-8984/24/19/195503
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