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727 Publications
2014 | Journal Article | LibreCat-ID: 10035
Li, Yanlu, Simone Sanna, and Wolf Gero Schmidt. “Modeling Intrinsic Defects in LiNbO3 within the Slater-Janak Transition State Model.” The Journal of Chemical Physics, 2014. https://doi.org/10.1063/1.4883737.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 10036
Hölscher, Rebecca, Wolf Gero Schmidt, and Simone Sanna. “Modeling LiNbO3 Surfaces at Ambient Conditions.” The Journal of Physical Chemistry C, 2014, 10213–20. https://doi.org/10.1021/jp502936f.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13508
Guo, Q., A. Paulheim, M. Sokolowski, Hazem Aldahhak, E. Rauls, and Wolf Gero Schmidt. “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface.” The Journal of Physical Chemistry C 118 (2014): 29911–18. https://doi.org/10.1021/jp509663s.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13509
Oh, Deok Mahn, S. Wippermann, Wolf Gero Schmidt, and Han Woong Yeom. “Oxygen Adsorbates on the Si(111)4×1-In Metallic Atomic Wire: Scanning Tunneling Microscopy and Density-Functional Theory Calculations.” Physical Review B 90, no. 15 (2014). https://doi.org/10.1103/physrevb.90.155432.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13510
Hoffmann, Alexander, Martin Rohrmüller, Anton Jesser, Ines dos Santos Vieira, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “Geometrical and Optical Benchmarking of Copper(II) Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory (Part II).” Journal of Computational Chemistry 35, no. 29–30 (2014): 2146–61. https://doi.org/10.1002/jcc.23740.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13511
Landmann, M, T Köhler, E Rauls, T Frauenheim, and Wolf Gero Schmidt. “The Atomic Structure of Ternary Amorphous TixSi1−xO2hybrid Oxides.” Journal of Physics: Condensed Matter 26 (2014). https://doi.org/10.1088/0953-8984/26/25/253201.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13513
Gerstmann, Uwe, N. J. Vollmers, A. Lücke, M. Babilon, and Wolf Gero Schmidt. “Rashba Splitting and Relativistic Energy Shifts in In/Si(111) Nanowires.” Physical Review B 89, no. 16 (2014). https://doi.org/10.1103/physrevb.89.165431.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13515
Sanna, S., R. Hölscher, and Wolf Gero Schmidt. “Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge.” Applied Surface Science, 2014, 70–78. https://doi.org/10.1016/j.apsusc.2014.01.104.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 13516
Sanna, S., Wolf Gero Schmidt, S. Rode, S. Klassen, and A. Kühnle. “Unraveling TheLiNbO3X-Cut Surface by Atomic Force Microscopy and Density Functional Theory.” Physical Review B 89, no. 7 (2014). https://doi.org/10.1103/physrevb.89.075403.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 15863
Vollbrecht, Joachim, Harald Bock, Christian Wiebeler, Stefan Schumacher, and Heinz-Siegfried Kitzerow. “Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties.” Chemistry - A European Journal, 2014, 12026–31. https://doi.org/10.1002/chem.201403287.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22955
Driben, Rodislav, and Torsten Meier. “Nonlinear Dynamics of Airy-Vortex 3D Wave Packets: Emission of Vortex Light Waves.” Optics Letters 39, no. 19 (2014): 5539–42. https://doi.org/10.1364/ol.39.005539.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22954
Driben, R., V. V. Konotop, and Torsten Meier. “Coupled Airy Breathers.” Optics Letters 39, no. 19 (2014): 5523–26. https://doi.org/10.1364/ol.39.005523.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 15864
Liu, Hong, Stefan Schumacher, and Torsten Meier. “Influence of Coulomb-Induced Band Couplings on Linear Excitonic Absorption Spectra of Semiconducting Carbon Nanotubes.” Physical Review B 89, no. 15 (2014). https://doi.org/10.1103/physrevb.89.155407.
LibreCat
| DOI
2014 | Journal Article | LibreCat-ID: 22958
Driben, R., and Torsten Meier. “Regeneration of Airy Pulses in Fiber-Optic Links with Dispersion Management of the Two Leading Dispersion Terms of Opposite Signs.” Physical Review A 89, no. 4 (2014). https://doi.org/10.1103/physreva.89.043817.
LibreCat
| DOI
2013 | Book Chapter | LibreCat-ID: 18475
Riefer, Arthur, Martin Rohrmüller, Marc Landmann, Simone Sanna, Eva Rauls, Nora Jenny Vollmers, Rebecca Hölscher, et al. “Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.” In High Performance Computing in Science and Engineering ‘13, edited by Wolfgang E. Nagel, Dietmar H. Kröner, and Michael M. Resch, 93–104. Transactions of the High Performance Computing Center, Stuttgart. Cham: Springer, 2013. https://doi.org/10.1007/978-3-319-02165-2_8.
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| DOI
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2013 | Journal Article | LibreCat-ID: 15866
Ardizzone, Vincenzo, Przemyslaw Lewandowski, M. H. Luk, Y. C. Tse, N. H. Kwong, Andreas Lücke, Marco Abbarchi, et al. “Formation and Control of Turing Patterns in a Coherent Quantum Fluid.” Scientific Reports, 2013. https://doi.org/10.1038/srep03016.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15867
Tautz, Raphael, Enrico Da Como, Christian Wiebeler, Giancarlo Soavi, Ines Dumsch, Nils Fröhlich, Giulia Grancini, et al. “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length.” Journal of the American Chemical Society, 2013, 4282–90. https://doi.org/10.1021/ja309252a.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15868
Luk, M. H., Y. C. Tse, N. H. Kwong, P. T. Leung, Przemyslaw Lewandowski, R. Binder, and Stefan Schumacher. “Transverse Optical Instability Patterns in Semiconductor Microcavities: Polariton Scattering and Low-Intensity All-Optical Switching.” Physical Review B, 2013. https://doi.org/10.1103/physrevb.87.205307.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 15870
Ling, Sanliang, Stefan Schumacher, Ian Galbraith, and Martin J. Paterson. “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of Oligofluorenes.” The Journal of Physical Chemistry C, 2013, 6889–95. https://doi.org/10.1021/jp401359a.
LibreCat
| DOI
2013 | Journal Article | LibreCat-ID: 13517
Jesser, Anton, Martin Rohrmüller, Wolf Gero Schmidt, and Sonja Herres-Pawlis. “Geometrical and Optical Benchmarking of Copper Guanidine-Quinoline Complexes: Insights from TD-DFT and Many-Body Perturbation Theory†.” Journal of Computational Chemistry 35, no. 1–2 (2013): 1–17. https://doi.org/10.1002/jcc.23449.
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| DOI