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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .