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347 Publications
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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2002 | Journal Article | LibreCat-ID: 13741
Schmidt, Wolf Gero, F. Bechstedt, K. Fleischer, C. Cobet, N. Esser, W. Richter, J. Bernholc, and G. Onida. “GaAs(001): Surface Structure and Optical Properties.” Physica Status Solidi (A) 188, no. 4 (2002): 1401–9. https://doi.org/10.1002/1521-396x(200112)188:4<1401::aid-pssa1401>3.0.co;2-1.
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2002 | Journal Article | LibreCat-ID: 13742
Bechstedt, F., Wolf Gero Schmidt, and P.H. Hahn. “Towards a Complete Many-Body Description: Optical Response of Real Surfaces.” Physica Status Solidi (A) 188, no. 4 (2002): 1383–92. https://doi.org/10.1002/1521-396x(200112)188:4<1383::aid-pssa1383>3.0.co;2-g.
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2002 | Journal Article | LibreCat-ID: 13745
Onida, G., Wolf Gero Schmidt, O. Pulci, M. Palummo, A. Marini, C. Hogan, and R. Del Sole. “Theory for Modeling the Optical Properties of Surfaces.” Physica Status Solidi (A) 188, no. 4 (2002): 1233–42. https://doi.org/10.1002/1521-396x(200112)188:4<1233::aid-pssa1233>3.0.co;2-w.
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2002 | Journal Article | LibreCat-ID: 13749
Paget, D., Y. Garreau, M. Sauvage, P. Chiaradia, R. Pinchaux, and Wolf Gero Schmidt. “X-Ray Diffraction Analysis of the Gallium-Rich Surface of GaAs(001).” Physical Review B 64 (2002): 161305(R). https://doi.org/10.1103/physrevb.64.161305.
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2002 | Journal Article | LibreCat-ID: 13750
Pulci, O., K. Lüdge, P. Vogt, N. Esser, Wolf Gero Schmidt, W. Richter, and F. Bechstedt. “First-Principles Study of InP and GaP(001) Surfaces.” Computational Materials Science, 2002, 32–37. https://doi.org/10.1016/s0927-0256(01)00161-6.
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2002 | Journal Article | LibreCat-ID: 13752
Hingerl, K, R.E Balderas-Navarro, A Bonanni, P Tichopadek, and Wolf Schmidt. “On the Origin of Resonance Features in Reflectance Difference Data of Silicon.” Applied Surface Science 175–176 (2002): 769–76. https://doi.org/10.1016/s0169-4332(01)00114-3.
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2002 | Journal Article | LibreCat-ID: 13754
Schmidt, Wolf Gero, F. Bechstedt, and J. Bernholc. “Terrace and Step Contributions to the Optical Anisotropy of Si(001) Surfaces.” Physical Review B 63 (2002): 045322. https://doi.org/10.1103/physrevb.63.045322.
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2002 | Journal Article | LibreCat-ID: 13755
Lu, Wenchang, Wolf Gero Schmidt, E. L. Briggs, and J. Bernholc. “Optical Anisotropy of TheSiC(001)-(3×2)Surface: Evidence for the Two-Adlayer Asymmetric-Dimer Model.” Physical Review Letters 85, no. 20 (2002): 4381–84. https://doi.org/10.1103/physrevlett.85.4381.
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2001 | Journal Article | LibreCat-ID: 13751
Esser, N., Wolf Gero Schmidt, C. Cobet, K. Fleischer, A. I. Shkrebtii, B. O. Fimland, and W. Richter. “Atomic Structure and Optical Anisotropy of III–V(001) Surfaces.” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures 19, no. 5 (2001). https://doi.org/10.1116/1.1394730.
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2001 | Journal Article | LibreCat-ID: 13753
Pulci, O., Wolf Gero Schmidt, and F. Bechstedt. “Structure and Energetics of P-Rich GaP(001) Surfaces.” Physica Status Solidi (A) 184, no. 1 (2001): 105–10. https://doi.org/10.1002/1521-396x(200103)184:1<105::aid-pssa105>3.0.co;2-d.
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2001 | Journal Article | LibreCat-ID: 13847
Hingerl, K, R.E Balderas-Navarro, A Bonanni, P Tichopadek, and Wolf Gero Schmidt. “On the Origin of Resonance Features in Reflectance Difference Data of Silicon.” Applied Surface Science 175–176 (2001): 769–76. https://doi.org/10.1016/s0169-4332(01)00114-3.
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2001 | Journal Article | LibreCat-ID: 13849
Schmidt, Wolf Gero, F. Bechstedt, and J. Bernholc. “Terrace and Step Contributions to the Optical Anisotropy of Si(001) Surfaces.” Physical Review B 63 (2001). https://doi.org/10.1103/physrevb.63.045322.
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2000 | Journal Article | LibreCat-ID: 13756
Pulci, Olivia, Kathy Lüdge, Wolf Gero Schmidt, and F Bechstedt. “First-Principles Study of (2×1) and (2×2) Phosphorus-Rich InP(001) Surfaces.” Surface Science 464 (2000): 272–82. https://doi.org/10.1016/s0039-6028(00)00729-9.
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2000 | Journal Article | LibreCat-ID: 13757
Schmidt, Wolf Gero, J. Bernholc, and F. Bechstedt. “(001) Surfaces of GaP and InP: Structural Motifs, Electronic States and Optical Signatures.” Applied Surface Science 166 (2000): 179–84. https://doi.org/10.1016/s0169-4332(00)00406-2.
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2000 | Journal Article | LibreCat-ID: 13758
Frisch, A.M., P. Vogt, S. Visbeck, Th. Hannappel, F. Willig, W. Braun, W. Richter, J. Bernholc, Wolf Gero Schmidt, and N. Esser. “Angle Resolved Photoemission Spectroscopy of the InP(001) Surface.” Applied Surface Science 166 (2000): 224–30. https://doi.org/10.1016/s0169-4332(00)00431-1.
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2000 | Journal Article | LibreCat-ID: 13759
Schmidt, Wolf Gero, S. Mirbt, and F. Bechstedt. “Surface Phase Diagram of (2×4) and (4×2) Reconstructions of GaAs(001).” Physical Review B 62, no. 12 (2000): 8087–91. https://doi.org/10.1103/physrevb.62.8087.
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2000 | Journal Article | LibreCat-ID: 13760
Schmidt, Wolf Gero, N. Esser, A. M. Frisch, P. Vogt, J. Bernholc, F. Bechstedt, M. Zorn, et al. “Understanding Reflectance Anisotropy: Surface-State Signatures and Bulk-Related Features in the Optical Spectrum OfInP(001)(2×4).” Physical Review B 61 (2000): R16335–38. https://doi.org/10.1103/physrevb.61.r16335.
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2000 | Journal Article | LibreCat-ID: 13761
Schmidt, Wolf Gero, F. Bechstedt, and J. Bernholc. “Understanding Reflectance Anisotropy: Surface-State Signatures and Bulk-Related Features.” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures 18, no. 4 (2000). https://doi.org/10.1116/1.1305289.
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2000 | Journal Article | LibreCat-ID: 13762
Schmidt, Wolf Gero, and J. Bernholc. “Step-Induced Optical Anisotropy of Si(111):H Surfaces.” Physical Review B 61, no. 11 (2000): 7604–8. https://doi.org/10.1103/physrevb.61.7604.
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2000 | Book Chapter | LibreCat-ID: 13763
Bernholc, J., E. L. Briggs, C. Bungaro, M. Buongiorno Nardelli, J. -L. Fattebert, K. Rapcewicz, C. Roland, Wolf Gero Schmidt, and Q. Zhao. “Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes and Quantum Transport.” In Computer Simulation of Materials at Atomic Level, 1:685–701. 217. physica status solidi (b), 2000. https://doi.org/10.1002/3527603107.ch33.
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