Blankenburg, S, and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110): Direct and Indirect Molecular Interactions.”https://doi.org/10.1088/0953-8984/21/18/185001__Journal of Physics: Condensed Matter 21 (2009).https://doi.org/10.1088/0953-8984/21/18/185001 .
LibreCat: /record/13662
DOI: 10.1088/0953-8984/21/18/185001

Lange, B., R. Posner, K. Pohl, C. Thierfelder, Guido Grundmeier, S. Blankenburg, and Wolf Gero Schmidt. “Water Adsorption on Hydrogenated Si(111) Surfaces.”https://doi.org/10.1016/j.susc.2008.10.030__Surface Science 603 (2009): 60–64.https://doi.org/10.1016/j.susc.2008.10.030 .
LibreCat: /record/13664
DOI: 10.1016/j.susc.2008.10.030

Landmann, M., E. Rauls, and Wolf Gero Schmidt. “First-Principles Calculations of Clean Au(110) Surfaces and Chemisorption of Atomic Oxygen.”https://doi.org/10.1103/physrevb.79.045412__Physical Review B 79, no. 4 (2009).https://doi.org/10.1103/physrevb.79.045412 .
LibreCat: /record/13665
DOI: 10.1103/physrevb.79.045412

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.”https://doi.org/10.4028/www.scientific.net/msf.615-617.343__Materials Science Forum 615–617 (2009): 343–46.https://doi.org/10.4028/www.scientific.net/msf.615-617.343 .
LibreCat: /record/13844
DOI: 10.4028/www.scientific.net/msf.615-617.343

Wippermann, S., and Wolf Gero Schmidt. “Optical Anisotropy of the In/Si(111)(4×1)/(8×2) Nanowire Array.”https://doi.org/10.1016/j.susc.2008.11.013__Surface Science 603 (2008): 247–50.https://doi.org/10.1016/j.susc.2008.11.013 .
LibreCat: /record/13663
DOI: 10.1016/j.susc.2008.11.013

Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111) and p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.”https://doi.org/10.1103/physrevb.78.235439__Physical Review B 78, no. 23 (2008).https://doi.org/10.1103/physrevb.78.235439 .
LibreCat: /record/13666
DOI: 10.1103/physrevb.78.235439

Rauls, E., and Wolf Gero Schmidt. “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110).”https://doi.org/10.1021/jp8037297__Journal of Physical Chemistry C 112 (2008): 11490–94.https://doi.org/10.1021/jp8037297 .
LibreCat: /record/13668
DOI: 10.1021/jp8037297

Rauls, E., S. J. Dijkstra, and Wolf Gero Schmidt. “Atomic Structure and Energetics of Thec-GaN(001) Surface.”https://doi.org/10.1103/physrevb.78.113302__Physical Review B 78, no. 11 (2008).https://doi.org/10.1103/physrevb.78.113302 .
LibreCat: /record/13669
DOI: 10.1103/physrevb.78.113302

Rauls, E., S. Blankenburg, and Wolf Gero Schmidt. “DFT Calculations of Adenine Adsorption on Coin Metal (110) Surfaces.”https://doi.org/10.1016/j.susc.2008.04.029__Surface Science 602 (2008): 2170–74.https://doi.org/10.1016/j.susc.2008.04.029 .
LibreCat: /record/13670
DOI: 10.1016/j.susc.2008.04.029

Hermann, A., Wolf Gero Schmidt, and P. Schwerdtfeger. “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects.”https://doi.org/10.1103/physrevlett.100.207403__Physical Review Letters 100, no. 20 (2008).https://doi.org/10.1103/physrevlett.100.207403 .
LibreCat: /record/13671
DOI: 10.1103/physrevlett.100.207403

Hermann, A, P Schwerdtfeger, and Wolf Gero Schmidt. “Theoretical Study of the Localization of Excess Electrons at the Surface of Ice.”https://doi.org/10.1088/0953-8984/20/22/225003__Journal of Physics: Condensed Matter 20 (2008).https://doi.org/10.1088/0953-8984/20/22/225003 .
LibreCat: /record/13672
DOI: 10.1088/0953-8984/20/22/225003

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.”https://doi.org/10.1103/physrevb.77.115120__Physical Review B 77, no. 11 (2008).https://doi.org/10.1103/physrevb.77.115120 .
LibreCat: /record/13673
DOI: 10.1103/physrevb.77.115120

Wippermann, S., N. Koch, and Wolf Gero Schmidt. “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects.”https://doi.org/10.1103/physrevlett.100.106802__Physical Review Letters 100, no. 10 (2008).https://doi.org/10.1103/physrevlett.100.106802 .
LibreCat: /record/13674
DOI: 10.1103/physrevlett.100.106802

Lange, B., and Wolf Gero Schmidt. “Ammonia Adsorption on Cl/Si(001): First-Principles Calculations.”https://doi.org/10.1016/j.susc.2008.01.024__Surface Science 602 (2008): 1207–11.https://doi.org/10.1016/j.susc.2008.01.024 .
LibreCat: /record/13675
DOI: 10.1016/j.susc.2008.01.024

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.”https://doi.org/10.1103/physrevb.77.035106__Physical Review B 77 (2008).https://doi.org/10.1103/physrevb.77.035106 .
LibreCat: /record/13676
DOI: 10.1103/physrevb.77.035106

Thierfelder, C., and Wolf Gero Schmidt. “Ethanol Adsorbed on Ice: A First-Principles Study.”https://doi.org/10.1103/physrevb.76.195426__Physical Review B 76, no. 19 (2007).https://doi.org/10.1103/physrevb.76.195426 .
LibreCat: /record/13677
DOI: 10.1103/physrevb.76.195426

Blankenburg, S., and Wolf Gero Schmidt. “Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer.”https://doi.org/10.1103/physrevlett.99.196107__Physical Review Letters 99, no. 19 (2007).https://doi.org/10.1103/physrevlett.99.196107 .
LibreCat: /record/13678
DOI: 10.1103/physrevlett.99.196107

Blankenburg, S, and Wolf Gero Schmidt. “Steric Effects and Chirality in the Adsorption of Glycine and Phenylglycine on Cu(110).”https://doi.org/10.1088/0957-4484/18/42/424030__Nanotechnology 18 (2007).https://doi.org/10.1088/0957-4484/18/42/424030 .
LibreCat: /record/13680
DOI: 10.1088/0957-4484/18/42/424030

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.”https://doi.org/10.1016/j.susc.2007.04.053__Surface Science, 2007, 4045–47.https://doi.org/10.1016/j.susc.2007.04.053 .
LibreCat: /record/13681
DOI: 10.1016/j.susc.2007.04.053

Bernholc, J., W. Lu, S. M. Nakhmanson, P.H. Hahn, V. Meunier, M. Buongiorno Nardelli, and Wolf Gero Schmidt. “Atomic Scale Design of Nanostructures.”https://doi.org/10.1080/00268970701189186__Molecular Physics, 2007, 147–56.https://doi.org/10.1080/00268970701189186 .
LibreCat: /record/13682
DOI: 10.1080/00268970701189186

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.”https://doi.org/10.1103/physrevlett.98.026105__Physical Review Letters 98, no. 2 (2007).https://doi.org/10.1103/physrevlett.98.026105 .
LibreCat: /record/13683
DOI: 10.1103/physrevlett.98.026105

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.”https://doi.org/10.1103/physrevb.74.245307__Physical Review B 74, no. 24 (2006).https://doi.org/10.1103/physrevb.74.245307 .
LibreCat: /record/13684
DOI: 10.1103/physrevb.74.245307

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.”https://doi.org/10.1103/physrevb.74.235406__Physical Review B 74, no. 23 (2006).https://doi.org/10.1103/physrevb.74.235406 .
LibreCat: /record/13685
DOI: 10.1103/physrevb.74.235406

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.”https://doi.org/10.1007/s00339-006-3691-0__Applied Physics A 85 (2006): 387–97.https://doi.org/10.1007/s00339-006-3691-0 .
LibreCat: /record/13686
DOI: 10.1007/s00339-006-3691-0

Blankenburg, S., and Wolf Gero Schmidt. “Adsorption of Phenylglycine on Copper: Density Functional Calculations.”https://doi.org/10.1103/physrevb.74.155419__Physical Review B 74, no. 15 (2006).https://doi.org/10.1103/physrevb.74.155419 .
LibreCat: /record/13688
DOI: 10.1103/physrevb.74.155419

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.”https://doi.org/10.1103/physrevb.74.115402__Physical Review B 74, no. 11 (2006).https://doi.org/10.1103/physrevb.74.115402 .
LibreCat: /record/13689
DOI: 10.1103/physrevb.74.115402

Thierfelder, C., A. Hermann, P. Schwerdtfeger, and Wolf Gero Schmidt. “Strongly Bonded Water Monomers on the Ice Ih Basal Plane: Density-Functional Calculations.”https://doi.org/10.1103/physrevb.74.045422__Physical Review B 74, no. 4 (2006).https://doi.org/10.1103/physrevb.74.045422 .
LibreCat: /record/13690
DOI: 10.1103/physrevb.74.045422

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.”https://doi.org/10.1103/physrevb.73.235429__Physical Review B 73, no. 23 (2006).https://doi.org/10.1103/physrevb.73.235429 .
LibreCat: /record/13691
DOI: 10.1103/physrevb.73.235429

Schmidt, Wolf Gero, A. Hermann, F. Fuchs, and F. Bechstedt. “Si(001) Surface Optical Anisotropies Induced by <0-Conjugated Overlayers and Oxidation.”https://doi.org/10.1016/j.cap.2005.11.069__Current Applied Physics 6 (2006): 525–30.https://doi.org/10.1016/j.cap.2005.11.069 .
LibreCat: /record/13692
DOI: 10.1016/j.cap.2005.11.069

Schmidt, Wolf Gero, and K. Seino. “Si(001) c(4×2)–p(2×2) Surface Phase Transitions Induced by Electric Fields and Doping.”https://doi.org/10.1016/j.cap.2005.11.012__Current Applied Physics 6 (2006): 331–33.https://doi.org/10.1016/j.cap.2005.11.012 .
LibreCat: /record/13693
DOI: 10.1016/j.cap.2005.11.012

Seino, K., Wolf Gero Schmidt, and A. Ohtake. “Ga-RichGaAs(001)Surface Fromab Initiocalculations: Atomic Structure of the(4×6)and(6×6)Reconstructions.”https://doi.org/10.1103/physrevb.73.035317__Physical Review B 73, no. 3 (2006).https://doi.org/10.1103/physrevb.73.035317 .
LibreCat: /record/13694
DOI: 10.1103/physrevb.73.035317

Hahn, P. H., Wolf Gero Schmidt, and F. Bechstedt. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.”https://doi.org/10.1103/physrevb.72.245425__Physical Review B 72, no. 24 (2006).https://doi.org/10.1103/physrevb.72.245425 .
LibreCat: /record/13695
DOI: 10.1103/physrevb.72.245425

Ortmann, F., F. Bechstedt, and Wolf Gero Schmidt. “Semiempirical van Der Waals Correction to the Density Functional Description of Solids and Molecular Structures.”https://doi.org/10.1103/physrevb.73.205101__Physical Review B 73, no. 20 (2006).https://doi.org/10.1103/physrevb.73.205101 .
LibreCat: /record/13845
DOI: 10.1103/physrevb.73.205101

Bechstedt, F., K. Seino, P. H. Hahn, and Wolf Gero Schmidt. “Quasiparticle Bands and Optical Spectra of Highly Ionic Crystals: AlN and NaCl.”https://doi.org/10.1103/physrevb.72.245114__Physical Review B 72, no. 24 (2005).https://doi.org/10.1103/physrevb.72.245114 .
LibreCat: /record/13696
DOI: 10.1103/physrevb.72.245114

Ortmann, F., Wolf Gero Schmidt, and F. Bechstedt. “Attracted by Long-Range Electron Correlation: Adenine on Graphite.”https://doi.org/10.1103/physrevlett.95.186101__Physical Review Letters 95, no. 18 (2005).https://doi.org/10.1103/physrevlett.95.186101 .
LibreCat: /record/13697
DOI: 10.1103/physrevlett.95.186101

Schmidt, Wolf Gero. “Calculation of Reflectance Anisotropy for Semiconductor Surface Exploration.”https://doi.org/10.1002/pssb.200541112__Physica Status Solidi (B) 242, no. 13 (2005): 2751–64.https://doi.org/10.1002/pssb.200541112 .
LibreCat: /record/13698
DOI: 10.1002/pssb.200541112

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.”https://doi.org/10.1002/pssb.200541128__Physica Status Solidi (B) 242, no. 13 (2005): 2720–28.https://doi.org/10.1002/pssb.200541128 .
LibreCat: /record/13699
DOI: 10.1002/pssb.200541128

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.”https://doi.org/10.1002/pssb.200541315__Physica Status Solidi (B) 242, no. 13 (2005): 2601–9.https://doi.org/10.1002/pssb.200541315 .
LibreCat: /record/13700
DOI: 10.1002/pssb.200541315

Fuchs, F., Wolf Gero Schmidt, and F. Bechstedt. “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations.”https://doi.org/10.1021/jp0501087__The Journal of Physical Chemistry B 109 (2005): 17649–53.https://doi.org/10.1021/jp0501087 .
LibreCat: /record/13701
DOI: 10.1021/jp0501087

Fuchs, F., Wolf Gero Schmidt, and F. Bechstedt. “Understanding the Optical Anisotropy of Oxidized Si(001) Surfaces.”https://doi.org/10.1103/physrevb.72.075353__Physical Review B 72, no. 7 (2005).https://doi.org/10.1103/physrevb.72.075353 .
LibreCat: /record/13702
DOI: 10.1103/physrevb.72.075353

Preuss, M., Wolf Gero Schmidt, and F. Bechstedt. “Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110).”https://doi.org/10.1103/physrevlett.94.236102__Physical Review Letters 94 (2005).https://doi.org/10.1103/physrevlett.94.236102 .
LibreCat: /record/13703
DOI: 10.1103/physrevlett.94.236102

Seino, K., and Wolf Gero Schmidt. “Conformation-Selective Adsorption of 2,3-Butanediol on Si(001).”https://doi.org/10.1016/j.susc.2005.04.029__Surface Science, 2005, 191–96.https://doi.org/10.1016/j.susc.2005.04.029 .
LibreCat: /record/13704
DOI: 10.1016/j.susc.2005.04.029

Leitsmann, R., Wolf Gero Schmidt, P. H. Hahn, and F. Bechstedt. “Second-Harmonic Polarizability Including Electron-Hole Attraction from Band-Structure Theory.”https://doi.org/10.1103/physrevb.71.195209__Physical Review B 71 (2005).https://doi.org/10.1103/physrevb.71.195209 .
LibreCat: /record/13705
DOI: 10.1103/physrevb.71.195209

Hermann, A., Wolf Gero Schmidt, and F. Bechstedt. “Optical Response Of<0-Conjugated Molecular Monolayer Adsorbed on the Semiconductor Si(001) Surface: A First-Principles Study.”https://doi.org/10.1103/physrevb.71.153311__Physical Review B 71 (2005).https://doi.org/10.1103/physrevb.71.153311 .
LibreCat: /record/13706
DOI: 10.1103/physrevb.71.153311

Hermann, Andreas, Wolf Gero Schmidt, and Friedhelm Bechstedt. “Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response.”https://doi.org/10.1021/jp0500182__The Journal of Physical Chemistry B 109 (2005): 7928–33.https://doi.org/10.1021/jp0500182 .
LibreCat: /record/13707
DOI: 10.1021/jp0500182

Hahn, P. H., Wolf Gero Schmidt, K. Seino, M. Preuss, F. Bechstedt, and J. Bernholc. “Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding.”https://doi.org/10.1103/physrevlett.94.037404__Physical Review Letters 94 (2005): 037404.https://doi.org/10.1103/physrevlett.94.037404 .
LibreCat: /record/13709
DOI: 10.1103/physrevlett.94.037404

Hahn, P. H., Wolf Gero Schmidt, and F. Bechstedt. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.”https://doi.org/10.1103/physrevb.72.245425__Physical Review B 72, no. 24 (2005).https://doi.org/10.1103/physrevb.72.245425 .
LibreCat: /record/13846
DOI: 10.1103/physrevb.72.245425

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.”https://doi.org/10.1103/physrevlett.93.266101__Physical Review Letters 93 (2004): 266101.https://doi.org/10.1103/physrevlett.93.266101 .
LibreCat: /record/13710
DOI: 10.1103/physrevlett.93.266101

Seino, K., and Wolf Gero Schmidt. “O on Si(001): Surface Optical Anisotropy from First-Principles Calculations.”https://doi.org/10.1016/j.susc.2004.08.012__Surface Science 571, no. 157 (2004): 157–60.https://doi.org/10.1016/j.susc.2004.08.012 .
LibreCat: /record/13711
DOI: 10.1016/j.susc.2004.08.012

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.”https://doi.org/10.1088/0953-8984/16/39/007__Journal of Physics: Condensed Matter 16 (2004): 23–34.https://doi.org/10.1088/0953-8984/16/39/007 .
LibreCat: /record/13712
DOI: 10.1088/0953-8984/16/39/007

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.”https://doi.org/10.1088/0953-8984/16/39/006__Journal of Physics: Condensed Matter 16 (2004): 13–22.https://doi.org/10.1088/0953-8984/16/39/006 .
LibreCat: /record/13713
DOI: 10.1088/0953-8984/16/39/006

Preuss, M, Wolf Gero Schmidt, K Seino, and F Bechstedt. “Methylchloride Adsorbed on Si(001): An Ab Initio Study.”https://doi.org/10.1016/j.apsusc.2004.05.041__Applied Surface Science 234 (2004): 155–61.https://doi.org/10.1016/j.apsusc.2004.05.041 .
LibreCat: /record/13715
DOI: 10.1016/j.apsusc.2004.05.041

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.”https://doi.org/10.1016/j.apsusc.2004.05.114__Applied Surface Science 234 (2004): 302–6.https://doi.org/10.1016/j.apsusc.2004.05.114 .
LibreCat: /record/13716
DOI: 10.1016/j.apsusc.2004.05.114

Seino, K., Wolf Gero Schmidt, and F. Bechstedt. “Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection.”https://doi.org/10.1103/physrevlett.93.036101__Physical Review Letters 93, no. 3 (2004).https://doi.org/10.1103/physrevlett.93.036101 .
LibreCat: /record/13717
DOI: 10.1103/physrevlett.93.036101

Preuss, M., Wolf Gero Schmidt, and F. Bechstedt. “Methyl Chloride Adsorption on Si(001)Electronic Structure.”https://doi.org/10.1021/jp049661z__The Journal of Physical Chemistry B 108 (2004): 7809–13.https://doi.org/10.1021/jp049661z .
LibreCat: /record/13718
DOI: 10.1021/jp049661z

Seino, K., Wolf Gero Schmidt, and F. Bechstedt. “Organic Modification of Surface Electronic Properties:A First-Principles Study of Uracil on Si(001).”https://doi.org/10.1103/physrevb.69.245309__Physical Review B 69 (2004): 245309.https://doi.org/10.1103/physrevb.69.245309 .
LibreCat: /record/13719
DOI: 10.1103/physrevb.69.245309

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.”https://doi.org/10.1016/j.tsf.2003.11.263__Thin Solid Films 455–456 (2004): 764–71.https://doi.org/10.1016/j.tsf.2003.11.263 .
LibreCat: /record/13720
DOI: 10.1016/j.tsf.2003.11.263

Seino, K., and Wolf Gero Schmidt. “Reflectance Anisotropy of Uracil Covered Si(001) Surfaces: Ab Initio Predictions.”https://doi.org/10.1016/j.susc.2003.11.002__Surface Science 548 (2004): 183–86.https://doi.org/10.1016/j.susc.2003.11.002 .
LibreCat: /record/13721
DOI: 10.1016/j.susc.2003.11.002

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.”https://doi.org/10.1002/jcc.10372__Journal of Computational Chemistry 25, no. 1 (2004): 112–22.https://doi.org/10.1002/jcc.10372 .
LibreCat: /record/13722
DOI: 10.1002/jcc.10372

Zeiser, Andreas, Norbert Bücking, Jörg Götte, Jens Förstner, Patrick Hahn, Wolf Gero Schmidt, and Andreas Knorr. “Dynamics of the Phonon-Induced Electron Transfer between Semiconductor Bulk and Surface States.”https://doi.org/10.1002/pssb.200409060__Physica Status Solidi (b) 241, no. 12 (2004): –62.https://doi.org/10.1002/pssb.200409060 .
LibreCat: /record/4272
DOI: 10.1002/pssb.200409060

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.”https://doi.org/10.1002/pssb.200303827__Physica Status Solidi (B) 240, no. 3 (2003): 469–79.https://doi.org/10.1002/pssb.200303827 .
LibreCat: /record/13723
DOI: 10.1002/pssb.200303827

Pristovsek, M., S. Tsukamoto, A. Ohtake, N. Koguchi, B. G. Orr, Wolf Gero Schmidt, and J. Bernholc. “Gallium-Rich Reconstructions on GaAs(001).”https://doi.org/10.1002/pssb.200301885__Physica Status Solidi (B) 240, no. 1 (2003): 91–98.https://doi.org/10.1002/pssb.200301885 .
LibreCat: /record/13724
DOI: 10.1002/pssb.200301885

Lu, Wenchang, Wolf Gero Schmidt, and J. Bernholc. “Cycloaddition Reaction versus Dimer Cleavage at TheSi(001):interface.”https://doi.org/10.1103/physrevb.68.115327__Physical Review B 68 (2003): 115327.https://doi.org/10.1103/physrevb.68.115327 .
LibreCat: /record/13725
DOI: 10.1103/physrevb.68.115327

Castillo, C., Bernardo S. Mendoza, Wolf Gero Schmidt, P. H. Hahn, and F. Bechstedt. “Layer-by-Layer Analysis of Surface Reflectance Anisotropy in Semiconductors.”https://doi.org/10.1103/physrevb.68.041310__Physical Review B 68 (2003): 041310(R).https://doi.org/10.1103/physrevb.68.041310 .
LibreCat: /record/13726
DOI: 10.1103/physrevb.68.041310

Wang, Shuchun, Wenchang Lu, Wolf Gero Schmidt, and J. Bernholc. “Nanowire-Induced Optical Anisotropy of the Si(111)-In Surface.”https://doi.org/10.1103/physrevb.68.035329__Physical Review B 68 (2003): 035329.https://doi.org/10.1103/physrevb.68.035329 .
LibreCat: /record/13727
DOI: 10.1103/physrevb.68.035329

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.”https://doi.org/10.1103/physrevb.68.033311__Physical Review B 68 (2003): 033311.https://doi.org/10.1103/physrevb.68.033311 .
LibreCat: /record/13728
DOI: 10.1103/physrevb.68.033311

Schmidt, Wolf Gero, and K. Seino. “Pyrrole (NH) and Polypyrrole Functionalized  Silicon Surfaces Calculated from First Principles.”https://doi.org/10.1142/s0218625x03004901__Surface Review and Letters 10, no. 2–3 (2003): 221–26.https://doi.org/10.1142/s0218625x03004901 .
LibreCat: /record/13729
DOI: 10.1142/s0218625x03004901

Hahn, P. H., and Wolf Gero Schmidt. “Surface Ordering of P-Rich InP(001): Hydrogen Stabilization vs Electron Correlation.”https://doi.org/10.1142/s0218625x03004913__Surface Review and Letters 10, no. 2–3 (2003): 163–67.https://doi.org/10.1142/s0218625x03004913 .
LibreCat: /record/13730
DOI: 10.1142/s0218625x03004913

Seino, K., Wolf Gero Schmidt, J. Furthmüller, and F. Bechstedt. “Chemisorption of Pyrrole (NH) on Si(001) Calculated from First-Principles.”https://doi.org/10.1016/s0039-6028(03)00159-6__Surface Science 532–535 (2003): 988–92.https://doi.org/10.1016/s0039-6028(03)00159-6 .
LibreCat: /record/13731
DOI: 10.1016/s0039-6028(03)00159-6

Seino, K., Wolf Gero Schmidt, M. Preuss, and F. Bechstedt. “Uracil Adsorbed on Si(001):  Structure and Energetics.”https://doi.org/10.1021/jp0342531__The Journal of Physical Chemistry B 107 (2003): 5031–35.https://doi.org/10.1021/jp0342531 .
LibreCat: /record/13732
DOI: 10.1021/jp0342531

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.”https://doi.org/10.1103/physrevlett.90.126101__Physical Review Letters 90, no. 12 (2003): 126101.https://doi.org/10.1103/physrevlett.90.126101 .
LibreCat: /record/13733
DOI: 10.1103/physrevlett.90.126101

Schmidt, Wolf Gero, S. Glutsch, P. H. Hahn, and F. Bechstedt. “EfficientO(N2)Method to Solve the Bethe-Salpeter Equation.”https://doi.org/10.1103/physrevb.67.085307__Physical Review B 67 (2003): 085307.https://doi.org/10.1103/physrevb.67.085307 .
LibreCat: /record/13734
DOI: 10.1103/physrevb.67.085307

Seino, K., Wolf Gero Schmidt, J. Furthmüller, and F. Bechstedt. “Chemisorption of Pyrrole and Polypyrrole on Si(001).”https://doi.org/10.1103/physrevb.66.235323__Physical Review B 66 (2003): 235323.https://doi.org/10.1103/physrevb.66.235323 .
LibreCat: /record/13735
DOI: 10.1103/physrevb.66.235323

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).”https://doi.org/10.1103/physrevb.66.085334__Physical Review B 66 (2002): 0855334.https://doi.org/10.1103/physrevb.66.085334 .
LibreCat: /record/13736
DOI: 10.1103/physrevb.66.085334

Seino, K., Wolf Gero Schmidt, F. Bechstedt, and J. Bernholc. “Structure and Energetics of Ga-Rich GaAs() Surfaces.”https://doi.org/10.1016/s0039-6028(02)01278-5__Surface Science 507–510 (2002): 406–10.https://doi.org/10.1016/s0039-6028(02)01278-5 .
LibreCat: /record/13737
DOI: 10.1016/s0039-6028(02)01278-5

Schmidt, Wolf Gero, F. Bechstedt, and J. Bernholc. “GaAs(001) Surface Reconstructions: Geometries, Chemical Bonding and Optical Properties.”https://doi.org/10.1016/s0169-4332(01)00862-5__Applied Surface Science 190 (2002): 264–68.https://doi.org/10.1016/s0169-4332(01)00862-5 .
LibreCat: /record/13738
DOI: 10.1016/s0169-4332(01)00862-5

Schmidt, Wolf Gero. “III-V Compound Semiconductor (001) Surfaces.”https://doi.org/10.1007/s003390101058__Applied Physics A: Materials Science &; Processing 75 (2002): 89–99.https://doi.org/10.1007/s003390101058 .
LibreCat: /record/13739
DOI: 10.1007/s003390101058

Hahn, P. H., Wolf Gero Schmidt, and F. Bechstedt. “Bulk Excitonic Effects in Surface Optical Spectra.”https://doi.org/10.1103/physrevlett.88.016402__Physical Review Letters 88, no. 1 (2002).https://doi.org/10.1103/physrevlett.88.016402 .
LibreCat: /record/13740
DOI: 10.1103/physrevlett.88.016402

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.”https://doi.org/10.1002/1521-396x(200112)188:4&#60;1401::aid-pssa1401&#62;3.0.co;2-1__Physica Status Solidi (A) 188, no. 4 (2002): 1401–9.https://doi.org/10.1002/1521-396x(200112)188:4&#60;1401::aid-pssa1401&#62;3.0.co;2-1 .
LibreCat: /record/13741
DOI: 10.1002/1521-396x(200112)188:4<1401::aid-pssa1401>3.0.co;2-1

Bechstedt, F., Wolf Gero Schmidt, and P.H. Hahn. “Towards a Complete Many-Body Description: Optical Response of Real Surfaces.”https://doi.org/10.1002/1521-396x(200112)188:4&#60;1383::aid-pssa1383&#62;3.0.co;2-g__Physica Status Solidi (A) 188, no. 4 (2002): 1383–92.https://doi.org/10.1002/1521-396x(200112)188:4&#60;1383::aid-pssa1383&#62;3.0.co;2-g .
LibreCat: /record/13742
DOI: 10.1002/1521-396x(200112)188:4<1383::aid-pssa1383>3.0.co;2-g

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.”https://doi.org/10.1002/1521-396x(200112)188:4&#60;1233::aid-pssa1233&#62;3.0.co;2-w__Physica Status Solidi (A) 188, no. 4 (2002): 1233–42.https://doi.org/10.1002/1521-396x(200112)188:4&#60;1233::aid-pssa1233&#62;3.0.co;2-w .
LibreCat: /record/13745
DOI: 10.1002/1521-396x(200112)188:4<1233::aid-pssa1233>3.0.co;2-w

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).”https://doi.org/10.1103/physrevb.64.161305__Physical Review B 64 (2002): 161305(R).https://doi.org/10.1103/physrevb.64.161305 .
LibreCat: /record/13749
DOI: 10.1103/physrevb.64.161305

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.”https://doi.org/10.1016/s0927-0256(01)00161-6__Computational Materials Science, 2002, 32–37.https://doi.org/10.1016/s0927-0256(01)00161-6 .
LibreCat: /record/13750
DOI: 10.1016/s0927-0256(01)00161-6

Schmidt, Wolf Gero, F. Bechstedt, and J. Bernholc. “Terrace and Step Contributions to the Optical Anisotropy of Si(001) Surfaces.”https://doi.org/10.1103/physrevb.63.045322__Physical Review B 63 (2002): 045322.https://doi.org/10.1103/physrevb.63.045322 .
LibreCat: /record/13754
DOI: 10.1103/physrevb.63.045322

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.”https://doi.org/10.1103/physrevlett.85.4381__Physical Review Letters 85, no. 20 (2002): 4381–84.https://doi.org/10.1103/physrevlett.85.4381 .
LibreCat: /record/13755
DOI: 10.1103/physrevlett.85.4381

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.”https://doi.org/10.1116/1.1394730__Journal of Vacuum Science &; Technology B: Microelectronics and Nanometer Structures 19, no. 5 (2001).https://doi.org/10.1116/1.1394730 .
LibreCat: /record/13751
DOI: 10.1116/1.1394730

Pulci, O., Wolf Gero Schmidt, and F. Bechstedt. “Structure and Energetics of P-Rich GaP(001) Surfaces.”https://doi.org/10.1002/1521-396x(200103)184:1&#60;105::aid-pssa105&#62;3.0.co;2-d__Physica Status Solidi (A) 184, no. 1 (2001): 105–10.https://doi.org/10.1002/1521-396x(200103)184:1&#60;105::aid-pssa105&#62;3.0.co;2-d .
LibreCat: /record/13753
DOI: 10.1002/1521-396x(200103)184:1<105::aid-pssa105>3.0.co;2-d

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.”https://doi.org/10.1016/s0169-4332(01)00114-3__Applied Surface Science 175–176 (2001): 769–76.https://doi.org/10.1016/s0169-4332(01)00114-3 .
LibreCat: /record/13847
DOI: 10.1016/s0169-4332(01)00114-3

Schmidt, Wolf Gero, F. Bechstedt, and J. Bernholc. “Terrace and Step Contributions to the Optical Anisotropy of Si(001) Surfaces.”https://doi.org/10.1103/physrevb.63.045322__Physical Review B 63 (2001).https://doi.org/10.1103/physrevb.63.045322 .
LibreCat: /record/13849
DOI: 10.1103/physrevb.63.045322

Pulci, Olivia, Kathy Lüdge, Wolf Gero Schmidt, and F Bechstedt. “First-Principles Study of (2×1) and (2×2) Phosphorus-Rich InP(001) Surfaces.”https://doi.org/10.1016/s0039-6028(00)00729-9__Surface Science 464 (2000): 272–82.https://doi.org/10.1016/s0039-6028(00)00729-9 .
LibreCat: /record/13756
DOI: 10.1016/s0039-6028(00)00729-9

Schmidt, Wolf Gero, J. Bernholc, and F. Bechstedt. “(001) Surfaces of GaP and InP: Structural Motifs, Electronic States and Optical Signatures.”https://doi.org/10.1016/s0169-4332(00)00406-2__Applied Surface Science 166 (2000): 179–84.https://doi.org/10.1016/s0169-4332(00)00406-2 .
LibreCat: /record/13757
DOI: 10.1016/s0169-4332(00)00406-2

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.”https://doi.org/10.1016/s0169-4332(00)00431-1__Applied Surface Science 166 (2000): 224–30.https://doi.org/10.1016/s0169-4332(00)00431-1 .
LibreCat: /record/13758
DOI: 10.1016/s0169-4332(00)00431-1

Schmidt, Wolf Gero, S. Mirbt, and F. Bechstedt. “Surface Phase Diagram of (2×4) and (4×2) Reconstructions of GaAs(001).”https://doi.org/10.1103/physrevb.62.8087__Physical Review B 62, no. 12 (2000): 8087–91.https://doi.org/10.1103/physrevb.62.8087 .
LibreCat: /record/13759
DOI: 10.1103/physrevb.62.8087

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).”https://doi.org/10.1103/physrevb.61.r16335__Physical Review B 61 (2000): 335–38.https://doi.org/10.1103/physrevb.61.r16335 .
LibreCat: /record/13760
DOI: 10.1103/physrevb.61.r16335

Schmidt, Wolf Gero, F. Bechstedt, and J. Bernholc. “Understanding Reflectance Anisotropy: Surface-State Signatures and Bulk-Related Features.”https://doi.org/10.1116/1.1305289__Journal of Vacuum Science &; Technology B: Microelectronics and Nanometer Structures 18, no. 4 (2000).https://doi.org/10.1116/1.1305289 .
LibreCat: /record/13761
DOI: 10.1116/1.1305289

Schmidt, Wolf Gero, and J. Bernholc. “Step-Induced Optical Anisotropy of Si(111):H Surfaces.”https://doi.org/10.1103/physrevb.61.7604__Physical Review B 61, no. 11 (2000): 7604–8.https://doi.org/10.1103/physrevb.61.7604 .
LibreCat: /record/13762
DOI: 10.1103/physrevb.61.7604

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.”https://doi.org/10.1002/3527603107.ch33__In Computer Simulation of Materials at Atomic Level, 1:685–701. 217. physica status solidi (b), 2000.https://doi.org/10.1002/3527603107.ch33 .
LibreCat: /record/13763
DOI: 10.1002/3527603107.ch33

Bechstedt, F., B. Adolph, and Wolf Gero Schmidt. “Ab Initio Calculation of Linear and Nonlinear Optical Properties of Semiconductor Structures.”https://doi.org/10.1590/s0103-97331999000400007__Brazilian Journal of Physics 29, no. 4 (1999).https://doi.org/10.1590/s0103-97331999000400007 .
LibreCat: /record/13764
DOI: 10.1590/s0103-97331999000400007

Schmidt, Wolf Gero, J. L. FATTEBERT, J. BERNHOLC, and F. BECHSTEDT. “SELF-ENERGY EFFECTS IN THE OPTICAL ANISOTROPY OF GaP(001).”https://doi.org/10.1142/s0218625x99001281__Surface Review and Letters 6, no. 6 (1999): 1159–65.https://doi.org/10.1142/s0218625x99001281 .
LibreCat: /record/13765
DOI: 10.1142/s0218625x99001281

Bechstedt, F., O. Pulci, and Wolf Gero Schmidt. “Theoretical Aspects of the Optical Response of Semiconductor Surfaces.”https://doi.org/10.1002/(sici)1521-396x(199909)175:1&#60;5::aid-pssa5&#62;3.0.co;2-9__Physica Status Solidi (A) 175, no. 5 (1999): 5–16.https://doi.org/10.1002/(sici)1521-396x(199909)175:1&#60;5::aid-pssa5&#62;3.0.co;2-9 .
LibreCat: /record/13766
DOI: 10.1002/(sici)1521-396x(199909)175:1<5::aid-pssa5>3.0.co;2-9