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