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347 Publications
2010 | Journal Article | LibreCat-ID: 13834
Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation Calculated from First-Principles.” Applied Surface Science 256 (2010): 5740–43. https://doi.org/10.1016/j.apsusc.2010.03.098.
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2010 | Journal Article | LibreCat-ID: 13835
Scholle, A., S. Greulich-Weber, Donat Josef As, Ch. Mietze, N. T. Son, C. Hemmingsson, B. Monemar, et al. “Magnetic Characterization of Conductance Electrons in GaN.” Physica Status Solidi (B) 247, no. 7 (2010): 1728–31. https://doi.org/10.1002/pssb.200983582.
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2010 | Journal Article | LibreCat-ID: 13836
Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “Chemical Reactivity on Surfaces: Modeling the Imide Synthesis from DATP and PTCDA on Au(111).” Physical Review B 81, no. 12 (2010). https://doi.org/10.1103/physrevb.81.125401.
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2010 | Journal Article | LibreCat-ID: 13837
Scholle, Andreas, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.” Materials Science Forum 645–648 (2010): 403–6. https://doi.org/10.4028/www.scientific.net/msf.645-648.403.
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2010 | Journal Article | LibreCat-ID: 13838
Sanna, Simone, and Wolf Gero Schmidt. “GaN Growth on LiNbO3 (0001) - a First-Principles Simulation.” Physica Status Solidi (C) 7, no. 7–8 (2010): 2272–74. https://doi.org/10.1002/pssc.200983649.
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2010 | Journal Article | LibreCat-ID: 13839
Blankenburg, S., and Wolf Gero Schmidt. “Temperature Dependent Stability of Self-Assembled Molecular Rows.” Physica Status Solidi (C) 7, no. 2 (2010): 415–17. https://doi.org/10.1002/pssc.200982460.
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2010 | Journal Article | LibreCat-ID: 13841
Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C) 7, no. 2 (2010): 153–56. https://doi.org/10.1002/pssc.200982459.
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2010 | Journal Article | LibreCat-ID: 13842
Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initio Investigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C) 7, no. 2 (2010): 145–48. https://doi.org/10.1002/pssc.200982456.
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2010 | Journal Article | LibreCat-ID: 13843
Wippermann, S., Wolf Gero Schmidt, P. Thissen, and G. Grundmeier. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” Physica Status Solidi (C) 7, no. 2 (2010): 137–40. https://doi.org/10.1002/pssc.200982423.
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2009 | Journal Article | LibreCat-ID: 13576
Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C), 2009, 153–56. https://doi.org/10.1002/pssc.200982459.
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2009 | Journal Article | LibreCat-ID: 13577
Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly Ordered Molecular Rows.” Physica Status Solidi (C) 7, no. 2 (2009): 153–56. https://doi.org/10.1002/pssc.200982459.
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2009 | Journal Article | LibreCat-ID: 13578
Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initioinvestigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C), 2009, 145–48. https://doi.org/10.1002/pssc.200982456.
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2009 | Journal Article | LibreCat-ID: 13579
Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initioinvestigation of the LiNbO3(0001) Surface.” Physica Status Solidi (C) 7, no. 2 (2009): 145–48. https://doi.org/10.1002/pssc.200982456.
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2009 | Journal Article | LibreCat-ID: 13580
Wippermann, S., Wolf Gero Schmidt, P. Thissen, and Guido Grundmeier. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).” Physica Status Solidi (C) 7, no. 2 (2009): 137–40. https://doi.org/10.1002/pssc.200982423.
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2009 | Journal Article | LibreCat-ID: 13583
Scholle, A., S. Greulich-Weber, E. Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” Physica B: Condensed Matter 404 (2009): 4742–44. https://doi.org/10.1016/j.physb.2009.08.123.
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2009 | Journal Article | LibreCat-ID: 13655
Thissen, P., G. Grundmeier, S. Wippermann, and Wolf Gero Schmidt. “Water Adsorption on the α-Al2O3(0001) Surface.” Physical Review B 80, no. 24 (2009). https://doi.org/10.1103/physrevb.80.245403.
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2009 | Journal Article | LibreCat-ID: 13657
Sanna, Simone, Wolf Gero Schmidt, Th. Frauenheim, and Uwe Gerstmann. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.” Physical Review B 80, no. 10 (2009). https://doi.org/10.1103/physrevb.80.104120.
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2009 | Journal Article | LibreCat-ID: 13658
Passmann, Regina, Priscila Favero, Wolf Gero Schmidt, Ronei Miotto, Walter Braun, Wolfgang Richter, Michael Kneissl, Norbert Esser, and Patrick Vogt. “Adsorption Structure of Cyclopentene on InP(001)(2×4).” Physical Review B 80, no. 12 (2009). https://doi.org/10.1103/physrevb.80.125303.
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2009 | Journal Article | LibreCat-ID: 13659
Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular Nanostructures.” The Journal of Physical Chemistry C 113 (2009): 12653–57. https://doi.org/10.1021/jp902337p.
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2009 | Journal Article | LibreCat-ID: 13660
Chandola, S., K. Hinrichs, M. Gensch, N. Esser, S. Wippermann, Wolf Gero Schmidt, F. Bechstedt, K. Fleischer, and J. F. McGilp. “Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response.” Physical Review Letters 102, no. 22 (2009). https://doi.org/10.1103/physrevlett.102.226805.
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2009 | Journal Article | LibreCat-ID: 13661
Landmann, M., E. Rauls, and Wolf Gero Schmidt. “Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First Principles.” The Journal of Physical Chemistry C 113 (2009): 5690–99. https://doi.org/10.1021/jp810581s.
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2009 | Journal Article | LibreCat-ID: 13662
Blankenburg, S, and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.” Journal of Physics: Condensed Matter 21 (2009). https://doi.org/10.1088/0953-8984/21/18/185001.
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2009 | Journal Article | LibreCat-ID: 13664
Lange, B., R. Posner, K. Pohl, C. Thierfelder, Guido Grundmeier, S. Blankenburg, and Wolf Gero Schmidt. “Water Adsorption on Hydrogenated Si(111) Surfaces.” Surface Science 603 (2009): 60–64. https://doi.org/10.1016/j.susc.2008.10.030.
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2009 | Journal Article | LibreCat-ID: 13665
Landmann, M., E. Rauls, and Wolf Gero Schmidt. “First-Principles Calculations of Clean Au(110) Surfaces and Chemisorption of Atomic Oxygen.” Physical Review B 79, no. 4 (2009). https://doi.org/10.1103/physrevb.79.045412.
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2009 | Journal Article | LibreCat-ID: 13802
Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software Project for Quantum Simulations of Materials.” Journal of Physics: Condensed Matter 21, no. 39 (2009). https://doi.org/10.1088/0953-8984/21/39/395502.
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2009 | Journal Article | LibreCat-ID: 13844
Savchenko, D.V., Andreas Pöppl, Ekaterina N. Kalabukhova, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.” Materials Science Forum 615–617 (2009): 343–46. https://doi.org/10.4028/www.scientific.net/msf.615-617.343.
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2008 | Journal Article | LibreCat-ID: 13663
Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.” Surface Science 603 (2008): 247–50. https://doi.org/10.1016/j.susc.2008.11.013.
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2008 | Journal Article | LibreCat-ID: 13666
Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111) and p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.” Physical Review B 78, no. 23 (2008). https://doi.org/10.1103/physrevb.78.235439.
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2008 | Journal Article | LibreCat-ID: 13667
Blankenburg, S., and Wolf Gero Schmidt. “Spatial Modulation of Molecular Adsorption Energies Due to Indirect Interaction.” Physical Review B 78 (2008). https://doi.org/10.1103/physrevb.78.233411.
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2008 | Journal Article | LibreCat-ID: 13668
Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).” Journal of Physical Chemistry C 112 (2008): 11490–94. https://doi.org/10.1021/jp8037297.
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2008 | Journal Article | LibreCat-ID: 13669
Rauls, E., S. J. Dijkstra, and Wolf Gero Schmidt. “Atomic Structure and Energetics of Thec-GaN(001) Surface.” Physical Review B 78, no. 11 (2008). https://doi.org/10.1103/physrevb.78.113302.
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2008 | Journal Article | LibreCat-ID: 13670
Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “DFT Calculations of Adenine Adsorption on Coin Metal (110) Surfaces.” Surface Science 602 (2008): 2170–74. https://doi.org/10.1016/j.susc.2008.04.029.
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2008 | Journal Article | LibreCat-ID: 13671
Hermann, A., Wolf Gero Schmidt, and P. Schwerdtfeger. “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects.” Physical Review Letters 100, no. 20 (2008). https://doi.org/10.1103/physrevlett.100.207403.
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2008 | Journal Article | LibreCat-ID: 13672
Hermann, A, P Schwerdtfeger, and Wolf Gero Schmidt. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.” Journal of Physics: Condensed Matter 20 (2008). https://doi.org/10.1088/0953-8984/20/22/225003.
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2008 | Journal Article | LibreCat-ID: 13673
Rakel, Munise, Christoph Cobet, Norbert Esser, Frank Fuchs, Friedhelm Bechstedt, Rüdiger Goldhahn, Wolf Gero Schmidt, and William Schaff. “GaN and InN Conduction-Band States Studied by Ellipsometry.” Physical Review B 77, no. 11 (2008). https://doi.org/10.1103/physrevb.77.115120.
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2008 | Journal Article | LibreCat-ID: 13674
Wippermann, S., N. Koch, and Wolf Gero Schmidt. “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects.” Physical Review Letters 100, no. 10 (2008). https://doi.org/10.1103/physrevlett.100.106802.
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2008 | Journal Article | LibreCat-ID: 13675
Lange, B., and Wolf Gero Schmidt. “Ammonia Adsorption on Cl/Si(001): First-Principles Calculations.” Surface Science 602 (2008): 1207–11. https://doi.org/10.1016/j.susc.2008.01.024.
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2008 | Journal Article | LibreCat-ID: 13676
Schmidt, Wolf Gero, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs, C. Rödl, J. Furthmüller, and A. Hermann. “LiNbO3ground- and Excited-State Properties from First-Principles Calculations.” Physical Review B 77 (2008). https://doi.org/10.1103/physrevb.77.035106.
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2008 | Journal Article | LibreCat-ID: 23484
Golde, D., T. Meier, and S. W. Koch. “High Harmonics Generated in Semiconductor Nanostructures by the Coupled Dynamics of Optical Inter- and Intraband Excitations.” Physical Review B 77, no. 7 (2008). https://doi.org/10.1103/physrevb.77.075330.
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2007 | Journal Article | LibreCat-ID: 13677
Thierfelder, C., and Wolf Gero Schmidt. “Ethanol Adsorbed on Ice: A First-Principles Study.” Physical Review B 76, no. 19 (2007). https://doi.org/10.1103/physrevb.76.195426.
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2007 | Journal Article | LibreCat-ID: 13678
Blankenburg, S., and Wolf Gero Schmidt. “Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer.” Physical Review Letters 99, no. 19 (2007). https://doi.org/10.1103/physrevlett.99.196107.
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2007 | Journal Article | LibreCat-ID: 13680
Blankenburg, S, and Wolf Gero Schmidt. “Steric Effects and Chirality in the Adsorption of Glycine and Phenylglycine on Cu(110).” Nanotechnology 18 (2007). https://doi.org/10.1088/0957-4484/18/42/424030.
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2007 | Journal Article | LibreCat-ID: 13681
Wippermann, S., Wolf Gero Schmidt, A. Calzolari, M. Buongiorno Nardelli, A.A. Stekolnikov, K. Seino, and F. Bechstedt. “Quantum Conductance of In Nanowires on Si(111) from First Principles Calculations.” Surface Science, 2007, 4045–47. https://doi.org/10.1016/j.susc.2007.04.053.
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2007 | Journal Article | LibreCat-ID: 13682
Bernholc, J., W. Lu, S. M. Nakhmanson, P.H. Hahn, V. Meunier, M. Buongiorno Nardelli, and Wolf Gero Schmidt. “Atomic Scale Design of Nanostructures.” Molecular Physics, 2007, 147–56. https://doi.org/10.1080/00268970701189186.
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2007 | Journal Article | LibreCat-ID: 13683
Stekolnikov, A. A., K. Seino, F. Bechstedt, S. Wippermann, Wolf Gero Schmidt, A. Calzolari, and M. Buongiorno Nardelli. “Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance.” Physical Review Letters 98, no. 2 (2007). https://doi.org/10.1103/physrevlett.98.026105.
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2006 | Journal Article | LibreCat-ID: 13684
Letzig, T., F. Willig, P. H. Hahn, and Wolf Gero Schmidt. “Experimental and Theoretical Evidence for a Hydrogen Stabilizedc(2×2)Reconstruction of the P-Rich InP(001) Surface.” Physical Review B 74, no. 24 (2006). https://doi.org/10.1103/physrevb.74.245307.
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2006 | Journal Article | LibreCat-ID: 13685
Preuss, M., F. Bechstedt, Wolf Gero Schmidt, J. Sochos, B. Schröter, and W. Richter. “Clean and Pyrrole-Functionalized Si- and C-Terminated SiC Surfaces: First-Principles Calculations of Geometry and Energetics Compared with LEED and XPS.” Physical Review B 74, no. 23 (2006). https://doi.org/10.1103/physrevb.74.235406.
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2006 | Journal Article | LibreCat-ID: 13686
Schmidt, Wolf Gero, K. Seino, M. Preuss, A. Hermann, F. Ortmann, and F. Bechstedt. “Organic Molecule Adsorption on Solid Surfaces: Chemical Bonding, Mutual Polarisation and Dispersion Interaction.” Applied Physics A 85 (2006): 387–97. https://doi.org/10.1007/s00339-006-3691-0.
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2006 | Journal Article | LibreCat-ID: 13688
Blankenburg, S., and Wolf Gero Schmidt. “Adsorption of Phenylglycine on Copper: Density Functional Calculations.” Physical Review B 74, no. 15 (2006). https://doi.org/10.1103/physrevb.74.155419.
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2006 | Journal Article | LibreCat-ID: 13689
Preuss, M., R. Miotto, F. Bechstedt, T. Rada, N. V. Richardson, and Wolf Gero Schmidt. “Structure, Energetics, and Vibrational Spectra of Perylene Adsorbed on Si(001): First-Principles Calculations Compared with STM and HREELS.” Physical Review B 74, no. 11 (2006). https://doi.org/10.1103/physrevb.74.115402.
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2006 | Journal Article | LibreCat-ID: 13690
Thierfelder, C., A. Hermann, P. Schwerdtfeger, and Wolf Gero Schmidt. “Strongly Bonded Water Monomers on the Ice Ih Basal Plane: Density-Functional Calculations.” Physical Review B 74, no. 4 (2006). https://doi.org/10.1103/physrevb.74.045422.
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2006 | Journal Article | LibreCat-ID: 13691
Biering, S., A. Hermann, and Wolf Gero Schmidt. “Adsorption of Water on Chlorine-Terminated Si(111) from First Principles: Substrate-Induced Ordering versus Intermolecular Interactions.” Physical Review B 73, no. 23 (2006). https://doi.org/10.1103/physrevb.73.235429.
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2006 | Journal Article | LibreCat-ID: 13692
Schmidt, Wolf Gero, A. Hermann, F. Fuchs, and F. Bechstedt. “Si(001) Surface Optical Anisotropies Induced by π-Conjugated Overlayers and Oxidation.” Current Applied Physics 6 (2006): 525–30. https://doi.org/10.1016/j.cap.2005.11.069.
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2006 | Journal Article | LibreCat-ID: 13693
Schmidt, Wolf Gero, and K. Seino. “Si(001) c(4×2)–p(2×2) Surface Phase Transitions Induced by Electric Fields and Doping.” Current Applied Physics 6 (2006): 331–33. https://doi.org/10.1016/j.cap.2005.11.012.
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2006 | Journal Article | LibreCat-ID: 13694
Seino, K., Wolf Gero Schmidt, and A. Ohtake. “Ga-RichGaAs(001)Surface Fromab Initiocalculations: Atomic Structure of the(4×6)and(6×6)Reconstructions.” Physical Review B 73, no. 3 (2006). https://doi.org/10.1103/physrevb.73.035317.
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2006 | Journal Article | LibreCat-ID: 13695
Hahn, P. H., Wolf Gero Schmidt, and F. Bechstedt. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.” Physical Review B 72, no. 24 (2006). https://doi.org/10.1103/physrevb.72.245425.
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2006 | Journal Article | LibreCat-ID: 13845
Ortmann, F., F. Bechstedt, and Wolf Gero Schmidt. “Semiempirical van Der Waals Correction to the Density Functional Description of Solids and Molecular Structures.” Physical Review B 73, no. 20 (2006). https://doi.org/10.1103/physrevb.73.205101.
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2005 | Journal Article | LibreCat-ID: 13696
Bechstedt, F., K. Seino, P. H. Hahn, and Wolf Gero Schmidt. “Quasiparticle Bands and Optical Spectra of Highly Ionic Crystals: AlN and NaCl.” Physical Review B 72, no. 24 (2005). https://doi.org/10.1103/physrevb.72.245114.
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2005 | Journal Article | LibreCat-ID: 13697
Ortmann, F., Wolf Gero Schmidt, and F. Bechstedt. “Attracted by Long-Range Electron Correlation: Adenine on Graphite.” Physical Review Letters 95, no. 18 (2005). https://doi.org/10.1103/physrevlett.95.186101.
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2005 | Journal Article | LibreCat-ID: 13698
Schmidt, Wolf Gero. “Calculation of Reflectance Anisotropy for Semiconductor Surface Exploration.” Physica Status Solidi (B) 242, no. 13 (2005): 2751–64. https://doi.org/10.1002/pssb.200541112.
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2005 | Journal Article | LibreCat-ID: 13699
Hahn, P. H., K. Seino, Wolf Gero Schmidt, J. Furthmüller, and F. Bechstedt. “Quasiparticle and Excitonic Effects in the Optical Spectra of Diamond, SiC, Si, GaP, GaAs, InP, and AlN.” Physica Status Solidi (B) 242, no. 13 (2005): 2720–28. https://doi.org/10.1002/pssb.200541128.
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2005 | Journal Article | LibreCat-ID: 13700
Esser, N., M. Rakel, C. Cobet, Wolf Gero Schmidt, W. Braun, and M. Cardona. “VUV-Ellipsometry on GaN: Probing Conduction Band Properties by Core Level Excitations.” Physica Status Solidi (B) 242, no. 13 (2005): 2601–9. https://doi.org/10.1002/pssb.200541315.
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2005 | Journal Article | LibreCat-ID: 13701
Fuchs, F., Wolf Gero Schmidt, and F. Bechstedt. “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations.” The Journal of Physical Chemistry B 109 (2005): 17649–53. https://doi.org/10.1021/jp0501087.
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2005 | Journal Article | LibreCat-ID: 13702
Fuchs, F., Wolf Gero Schmidt, and F. Bechstedt. “Understanding the Optical Anisotropy of Oxidized Si(001) Surfaces.” Physical Review B 72, no. 7 (2005). https://doi.org/10.1103/physrevb.72.075353.
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2005 | Journal Article | LibreCat-ID: 13703
Preuss, M., Wolf Gero Schmidt, and F. Bechstedt. “Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110).” Physical Review Letters 94 (2005). https://doi.org/10.1103/physrevlett.94.236102.
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2005 | Journal Article | LibreCat-ID: 13704
Seino, K., and Wolf Gero Schmidt. “Conformation-Selective Adsorption of 2,3-Butanediol on Si(001).” Surface Science, 2005, 191–96. https://doi.org/10.1016/j.susc.2005.04.029.
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2005 | Journal Article | LibreCat-ID: 13705
Leitsmann, R., Wolf Gero Schmidt, P. H. Hahn, and F. Bechstedt. “Second-Harmonic Polarizability Including Electron-Hole Attraction from Band-Structure Theory.” Physical Review B 71 (2005). https://doi.org/10.1103/physrevb.71.195209.
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2005 | Journal Article | LibreCat-ID: 13706
Hermann, A., Wolf Gero Schmidt, and F. Bechstedt. “Optical Response Ofπ-Conjugated Molecular Monolayer Adsorbed on the Semiconductor Si(001) Surface: A First-Principles Study.” Physical Review B 71 (2005). https://doi.org/10.1103/physrevb.71.153311.
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2005 | Journal Article | LibreCat-ID: 13707
Hermann, Andreas, Wolf Gero Schmidt, and Friedhelm Bechstedt. “Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response.” The Journal of Physical Chemistry B 109 (2005): 7928–33. https://doi.org/10.1021/jp0500182.
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2005 | Journal Article | LibreCat-ID: 13709
Hahn, P. H., Wolf Gero Schmidt, K. Seino, M. Preuss, F. Bechstedt, and J. Bernholc. “Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding.” Physical Review Letters 94 (2005): 037404. https://doi.org/10.1103/physrevlett.94.037404.
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2005 | Journal Article | LibreCat-ID: 13846
Hahn, P. H., Wolf Gero Schmidt, and F. Bechstedt. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.” Physical Review B 72, no. 24 (2005). https://doi.org/10.1103/physrevb.72.245425.
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2004 | Journal Article | LibreCat-ID: 13710
Ohtake, Akihiro, Pavel Kocán, Kaori Seino, Wolf Gero Schmidt, and Nobuyuki Koguchi. “Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase.” Physical Review Letters 93 (2004): 266101. https://doi.org/10.1103/physrevlett.93.266101.
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2004 | Journal Article | LibreCat-ID: 13711
Seino, K., and Wolf Gero Schmidt. “H2O on Si(001): Surface Optical Anisotropy from First-Principles Calculations.” Surface Science 571, no. 157 (2004): 157–60. https://doi.org/10.1016/j.susc.2004.08.012.
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2004 | Journal Article | LibreCat-ID: 13712
Schmidt, Wolf Gero, F Fuchs, A Hermann, K Seino, F Bechstedt, R Paßmann, M Wahl, et al. “Oxidation- and Organic-Molecule-Induced Changes of the Si Surface Optical Anisotropy:Ab Initiopredictions.” Journal of Physics: Condensed Matter 16 (2004): S4323–34. https://doi.org/10.1088/0953-8984/16/39/007.
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2004 | Journal Article | LibreCat-ID: 13713
Palummo, M, O Pulci, R Del Sole, A Marini, P Hahn, Wolf Gero Schmidt, and F Bechstedt. “The Bethe–Salpeter Equation: A First-Principles Approach for Calculating Surface Optical Spectra.” Journal of Physics: Condensed Matter 16 (2004): S4313–22. https://doi.org/10.1088/0953-8984/16/39/006.
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2004 | Journal Article | LibreCat-ID: 13715
Preuss, M, Wolf Gero Schmidt, K Seino, and F Bechstedt. “Methylchloride Adsorbed on Si(001): An Ab Initio Study.” Applied Surface Science 234 (2004): 155–61. https://doi.org/10.1016/j.apsusc.2004.05.041.
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2004 | Journal Article | LibreCat-ID: 13716
Fleischer, K, S Chandola, N Esser, W Richter, J.F McGilp, Wolf Gero Schmidt, S Wang, W Lu, and J Bernholc. “Atomic Indium Nanowires on Si(111): The (4 × 1)–(8 × 2) Phase Transition Studied with Reflectance Anisotropy Spectroscopy.” Applied Surface Science 234 (2004): 302–6. https://doi.org/10.1016/j.apsusc.2004.05.114.
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2004 | Journal Article | LibreCat-ID: 13717
Seino, K., Wolf Gero Schmidt, and F. Bechstedt. “Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection.” Physical Review Letters 93, no. 3 (2004). https://doi.org/10.1103/physrevlett.93.036101.
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2004 | Journal Article | LibreCat-ID: 13718
Preuss, M., Wolf Gero Schmidt, and F. Bechstedt. “Methyl Chloride Adsorption on Si(001)−Electronic Structure.” The Journal of Physical Chemistry B 108 (2004): 7809–13. https://doi.org/10.1021/jp049661z.
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2004 | Journal Article | LibreCat-ID: 13719
Seino, K., Wolf Gero Schmidt, and F. Bechstedt. “Organic Modification of Surface Electronic Properties: A First-Principles Study of Uracil on Si(001).” Physical Review B 69 (2004): 245309. https://doi.org/10.1103/physrevb.69.245309.
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2004 | Journal Article | LibreCat-ID: 13720
Schmidt, Wolf Gero, K. Seino, P.H. Hahn, F. Bechstedt, W. Lu, S. Wang, and J. Bernholc. “Calculation of Surface Optical Properties: From Qualitative Understanding to Quantitative Predictions.” Thin Solid Films 455–456 (2004): 764–71. https://doi.org/10.1016/j.tsf.2003.11.263.
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2004 | Journal Article | LibreCat-ID: 13721
Seino, K., and Wolf Gero Schmidt. “Reflectance Anisotropy of Uracil Covered Si(001) Surfaces: Ab Initio Predictions.” Surface Science 548 (2004): 183–86. https://doi.org/10.1016/j.susc.2003.11.002.
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2004 | Journal Article | LibreCat-ID: 13722
Preuss, M., Wolf Gero Schmidt, K. Seino, J. Furthmüller, and F. Bechstedt. “Ground- and Excited-State Properties of DNA Base Molecules from Plane-Wave Calculations Using Ultrasoft Pseudopotentials.” Journal of Computational Chemistry 25, no. 1 (2004): 112–22. https://doi.org/10.1002/jcc.10372.
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2003 | Journal Article | LibreCat-ID: 13723
Bechstedt, F., R. Del Sole, S. Glutsch, P. H. Hahn, O. Pulci, and Wolf Gero Schmidt. “Many-Body and Overlayer Effects on Surface Optical Properties.” Physica Status Solidi (B) 240, no. 3 (2003): 469–79. https://doi.org/10.1002/pssb.200303827.
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2003 | Journal Article | LibreCat-ID: 13724
Pristovsek, M., S. Tsukamoto, A. Ohtake, N. Koguchi, B. G. Orr, Wolf Gero Schmidt, and J. Bernholc. “Gallium-Rich Reconstructions on GaAs(001).” Physica Status Solidi (B) 240, no. 1 (2003): 91–98. https://doi.org/10.1002/pssb.200301885.
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2003 | Journal Article | LibreCat-ID: 13725
Lu, Wenchang, Wolf Gero Schmidt, and J. Bernholc. “Cycloaddition Reaction versus Dimer Cleavage at TheSi(001):C5H8interface.” Physical Review B 68 (2003): 115327. https://doi.org/10.1103/physrevb.68.115327.
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2003 | Journal Article | LibreCat-ID: 13726
Castillo, C., Bernardo S. Mendoza, Wolf Gero Schmidt, P. H. Hahn, and F. Bechstedt. “Layer-by-Layer Analysis of Surface Reflectance Anisotropy in Semiconductors.” Physical Review B 68 (2003): 041310(R). https://doi.org/10.1103/physrevb.68.041310.
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2003 | Journal Article | LibreCat-ID: 13727
Wang, Shuchun, Wenchang Lu, Wolf Gero Schmidt, and J. Bernholc. “Nanowire-Induced Optical Anisotropy of the Si(111)-In Surface.” Physical Review B 68 (2003): 035329. https://doi.org/10.1103/physrevb.68.035329.
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2003 | Journal Article | LibreCat-ID: 13728
Hahn, P. H., Wolf Gero Schmidt, F. Bechstedt, O. Pulci, and R. Del Sole. “P-RichGaP(001)(2×1)/(2×2)Surface: A Hydrogen-Adsorbate Structure Determined from First-Principles Calculations.” Physical Review B 68 (2003): 033311. https://doi.org/10.1103/physrevb.68.033311.
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2003 | Journal Article | LibreCat-ID: 13729
Schmidt, Wolf Gero, and K. Seino. “Pyrrole (C4H4NH) and Polypyrrole Functionalized Silicon Surfaces Calculated from First Principles.” Surface Review and Letters 10, no. 2–3 (2003): 221–26. https://doi.org/10.1142/s0218625x03004901.
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2003 | Journal Article | LibreCat-ID: 13730
Hahn, P. H., and Wolf Gero Schmidt. “Surface Ordering of P-Rich InP(001): Hydrogen Stabilization vs Electron Correlation.” Surface Review and Letters 10, no. 2–3 (2003): 163–67. https://doi.org/10.1142/s0218625x03004913.
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2003 | Journal Article | LibreCat-ID: 13732
Seino, K., Wolf Gero Schmidt, M. Preuss, and F. Bechstedt. “Uracil Adsorbed on Si(001): Structure and Energetics.” The Journal of Physical Chemistry B 107 (2003): 5031–35. https://doi.org/10.1021/jp0342531.
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2003 | Journal Article | LibreCat-ID: 13733
Schmidt, Wolf Gero, P. H. Hahn, F. Bechstedt, N. Esser, P. Vogt, A. Wange, and W. Richter. “InP(001)-(2×1) Surface: A Hydrogen Stabilized Structure.” Physical Review Letters 90, no. 12 (2003): 126101. https://doi.org/10.1103/physrevlett.90.126101.
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2003 | Journal Article | LibreCat-ID: 13734
Schmidt, Wolf Gero, S. Glutsch, P. H. Hahn, and F. Bechstedt. “EfficientO(N2)Method to Solve the Bethe-Salpeter Equation.” Physical Review B 67 (2003): 085307. https://doi.org/10.1103/physrevb.67.085307.
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2003 | Journal Article | LibreCat-ID: 13735
Seino, K., Wolf Gero Schmidt, J. Furthmüller, and F. Bechstedt. “Chemisorption of Pyrrole and Polypyrrole on Si(001).” Physical Review B 66 (2003): 235323. https://doi.org/10.1103/physrevb.66.235323.
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2002 | Journal Article | LibreCat-ID: 13736
Schmidt, Wolf Gero, F. Bechstedt, W. Lu, and J. Bernholc. “Interplay of Surface Reconstruction and Surface Electric Fields in the Optical Anisotropy of GaAs(001).” Physical Review B 66 (2002): 0855334. https://doi.org/10.1103/physrevb.66.085334.
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2002 | Journal Article | LibreCat-ID: 13737
Seino, K., Wolf Gero Schmidt, F. Bechstedt, and J. Bernholc. “Structure and Energetics of Ga-Rich GaAs() Surfaces.” Surface Science 507–510 (2002): 406–10. https://doi.org/10.1016/s0039-6028(02)01278-5.
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2002 | Journal Article | LibreCat-ID: 13738
Schmidt, Wolf Gero, F. Bechstedt, and J. Bernholc. “GaAs(001) Surface Reconstructions: Geometries, Chemical Bonding and Optical Properties.” Applied Surface Science 190 (2002): 264–68. https://doi.org/10.1016/s0169-4332(01)00862-5.
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2002 | Journal Article | LibreCat-ID: 13739
Schmidt, Wolf Gero. “III-V Compound Semiconductor (001) Surfaces.” Applied Physics A: Materials Science & Processing 75 (2002): 89–99. https://doi.org/10.1007/s003390101058.
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2002 | Journal Article | LibreCat-ID: 13740
Hahn, P. H., Wolf Gero Schmidt, and F. Bechstedt. “Bulk Excitonic Effects in Surface Optical Spectra.” Physical Review Letters 88, no. 1 (2002). https://doi.org/10.1103/physrevlett.88.016402.
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