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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .

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 .