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737 Publications


2014 | Journal Article | LibreCat-ID: 10035
Y. Li, S. Sanna, and W. G. Schmidt, “Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model,” The Journal of Chemical Physics, 2014.
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2014 | Journal Article | LibreCat-ID: 10036
R. Hölscher, W. G. Schmidt, and S. Sanna, “Modeling LiNbO3 Surfaces at Ambient Conditions,” The Journal of Physical Chemistry C, pp. 10213–10220, 2014.
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2014 | Journal Article | LibreCat-ID: 13508
Q. Guo, A. Paulheim, M. Sokolowski, H. Aldahhak, E. Rauls, and W. G. Schmidt, “Adsorption of PTCDA on Terraces and at Steps Sites of the KCl(100) Surface,” The Journal of Physical Chemistry C, vol. 118, pp. 29911–29918, 2014.
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2014 | Journal Article | LibreCat-ID: 13509
D. M. Oh, S. Wippermann, W. G. Schmidt, and H. W. Yeom, “Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations,” Physical Review B, vol. 90, no. 15, 2014.
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2014 | Journal Article | LibreCat-ID: 13510
A. Hoffmann, M. Rohrmüller, A. Jesser, I. dos Santos Vieira, W. G. Schmidt, and S. 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, vol. 35, no. 29–30, pp. 2146–2161, 2014.
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2014 | Journal Article | LibreCat-ID: 13511
M. Landmann, T. Köhler, E. Rauls, T. Frauenheim, and W. G. Schmidt, “The atomic structure of ternary amorphous TixSi1−xO2hybrid oxides,” Journal of Physics: Condensed Matter, vol. 26, 2014.
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2014 | Journal Article | LibreCat-ID: 13513
U. Gerstmann, N. J. Vollmers, A. Lücke, M. Babilon, and W. G. Schmidt, “Rashba splitting and relativistic energy shifts in In/Si(111) nanowires,” Physical Review B, vol. 89, no. 16, 2014.
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2014 | Journal Article | LibreCat-ID: 13515
S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge,” Applied Surface Science, pp. 70–78, 2014.
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2014 | Journal Article | LibreCat-ID: 13516
S. Sanna, W. G. Schmidt, S. Rode, S. Klassen, and A. Kühnle, “Unraveling theLiNbO3X-cut surface by atomic force microscopy and density functional theory,” Physical Review B, vol. 89, no. 7, 2014.
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2014 | Journal Article | LibreCat-ID: 15863
J. Vollbrecht, H. Bock, C. Wiebeler, S. Schumacher, and H.-S. Kitzerow, “Polycyclic Aromatic Hydrocarbons Obtained by Lateral Core Extension of Mesogenic Perylenes: Absorption and Optoelectronic Properties,” Chemistry - A European Journal, pp. 12026–12031, 2014, doi: 10.1002/chem.201403287.
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2014 | Journal Article | LibreCat-ID: 22955
R. Driben and T. Meier, “Nonlinear dynamics of Airy-vortex 3D wave packets: emission of vortex light waves,” Optics Letters, vol. 39, no. 19, pp. 5539–5542, 2014, doi: 10.1364/ol.39.005539.
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2014 | Journal Article | LibreCat-ID: 22954
R. Driben, V. V. Konotop, and T. Meier, “Coupled Airy breathers,” Optics Letters, vol. 39, no. 19, pp. 5523–5526, 2014, doi: 10.1364/ol.39.005523.
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2014 | Journal Article | LibreCat-ID: 15864
H. Liu, S. Schumacher, and T. Meier, “Influence of Coulomb-induced band couplings on linear excitonic absorption spectra of semiconducting carbon nanotubes,” Physical Review B, vol. 89, no. 15, Art. no. 155407, 2014, doi: 10.1103/physrevb.89.155407.
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2014 | Journal Article | LibreCat-ID: 22958
R. Driben and T. Meier, “Regeneration of Airy pulses in fiber-optic links with dispersion management of the two leading dispersion terms of opposite signs,” Physical Review A, vol. 89, no. 4, Art. no. 043817, 2014, doi: 10.1103/physreva.89.043817.
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2013 | Book Chapter | LibreCat-ID: 18475
A. Riefer 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, W. E. Nagel, D. H. Kröner, and M. M. Resch, Eds. Cham: Springer, 2013, pp. 93–104.
LibreCat | Files available | DOI | WoS
 

2013 | Journal Article | LibreCat-ID: 15866
V. Ardizzone et al., “Formation and control of Turing patterns in a coherent quantum fluid,” Scientific Reports, 2013.
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2013 | Journal Article | LibreCat-ID: 15867
R. Tautz et al., “Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of Excess Excitation Energy and Chain Length,” Journal of the American Chemical Society, pp. 4282–4290, 2013.
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2013 | Journal Article | LibreCat-ID: 15868
M. H. Luk et al., “Transverse optical instability patterns in semiconductor microcavities: Polariton scattering and low-intensity all-optical switching,” Physical Review B, 2013.
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2013 | Journal Article | LibreCat-ID: 15870
S. Ling, S. Schumacher, I. Galbraith, and M. 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, pp. 6889–6895, 2013.
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2013 | Journal Article | LibreCat-ID: 13517
A. Jesser, M. Rohrmüller, W. G. Schmidt, and S. Herres-Pawlis, “Geometrical and optical benchmarking of copper guanidine-quinoline complexes: Insights from TD-DFT and many-body perturbation theory†,” Journal of Computational Chemistry, vol. 35, no. 1–2, pp. 1–17, 2013.
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