@article{13690,
  author       = {{Thierfelder, C. and Hermann, A. and Schwerdtfeger, P. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{4}},
  title        = {{{Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations}}},
  doi          = {{10.1103/physrevb.74.045422}},
  volume       = {{74}},
  year         = {{2006}},
}

@article{13694,
  author       = {{Seino, K. and Schmidt, Wolf Gero and Ohtake, A.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{3}},
  title        = {{{Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions}}},
  doi          = {{10.1103/physrevb.73.035317}},
  volume       = {{73}},
  year         = {{2006}},
}

@article{13692,
  author       = {{Schmidt, Wolf Gero and Hermann, A. and Fuchs, F. and Bechstedt, F.}},
  issn         = {{1567-1739}},
  journal      = {{Current Applied Physics}},
  pages        = {{525--530}},
  title        = {{{Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation}}},
  doi          = {{10.1016/j.cap.2005.11.069}},
  volume       = {{6}},
  year         = {{2006}},
}

@article{13695,
  author       = {{Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{24}},
  title        = {{{Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics}}},
  doi          = {{10.1103/physrevb.72.245425}},
  volume       = {{72}},
  year         = {{2006}},
}

@article{13693,
  author       = {{Schmidt, Wolf Gero and Seino, K.}},
  issn         = {{1567-1739}},
  journal      = {{Current Applied Physics}},
  pages        = {{331--333}},
  title        = {{{Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping}}},
  doi          = {{10.1016/j.cap.2005.11.012}},
  volume       = {{6}},
  year         = {{2006}},
}

@article{13845,
  author       = {{Ortmann, F. and Bechstedt, F. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{20}},
  title        = {{{Semiempirical van der Waals correction to the density functional description of solids and molecular structures}}},
  doi          = {{10.1103/physrevb.73.205101}},
  volume       = {{73}},
  year         = {{2006}},
}

@article{13709,
  author       = {{Hahn, P. H. and Schmidt, Wolf Gero and Seino, K. and Preuss, M. and Bechstedt, F. and Bernholc, J.}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  pages        = {{037404}},
  title        = {{{Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding}}},
  doi          = {{10.1103/physrevlett.94.037404}},
  volume       = {{94}},
  year         = {{2005}},
}

@article{13706,
  author       = {{Hermann, A. and Schmidt, Wolf Gero and Bechstedt, F.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  title        = {{{Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study}}},
  doi          = {{10.1103/physrevb.71.153311}},
  volume       = {{71}},
  year         = {{2005}},
}

@article{13699,
  author       = {{Hahn, P. H. and Seino, K. and Schmidt, Wolf Gero and Furthmüller, J. and Bechstedt, F.}},
  issn         = {{0370-1972}},
  journal      = {{physica status solidi (b)}},
  number       = {{13}},
  pages        = {{2720--2728}},
  title        = {{{Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN}}},
  doi          = {{10.1002/pssb.200541128}},
  volume       = {{242}},
  year         = {{2005}},
}

@article{13700,
  author       = {{Esser, N. and Rakel, M. and Cobet, C. and Schmidt, Wolf Gero and Braun, W. and Cardona, M.}},
  issn         = {{0370-1972}},
  journal      = {{physica status solidi (b)}},
  number       = {{13}},
  pages        = {{2601--2609}},
  title        = {{{VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations}}},
  doi          = {{10.1002/pssb.200541315}},
  volume       = {{242}},
  year         = {{2005}},
}

@article{13696,
  author       = {{Bechstedt, F. and Seino, K. and Hahn, P. H. and Schmidt, Wolf Gero}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{24}},
  title        = {{{Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl}}},
  doi          = {{10.1103/physrevb.72.245114}},
  volume       = {{72}},
  year         = {{2005}},
}

@article{13705,
  author       = {{Leitsmann, R. and Schmidt, Wolf Gero and Hahn, P. H. and Bechstedt, F.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  title        = {{{Second-harmonic polarizability including electron-hole attraction from band-structure theory}}},
  doi          = {{10.1103/physrevb.71.195209}},
  volume       = {{71}},
  year         = {{2005}},
}

@article{13701,
  author       = {{Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{17649--17653}},
  title        = {{{Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations}}},
  doi          = {{10.1021/jp0501087}},
  volume       = {{109}},
  year         = {{2005}},
}

@article{13697,
  author       = {{Ortmann, F. and Schmidt, Wolf Gero and Bechstedt, F.}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  number       = {{18}},
  title        = {{{Attracted by Long-Range Electron Correlation: Adenine on Graphite}}},
  doi          = {{10.1103/physrevlett.95.186101}},
  volume       = {{95}},
  year         = {{2005}},
}

@article{13702,
  author       = {{Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{7}},
  title        = {{{Understanding the optical anisotropy of oxidized Si(001) surfaces}}},
  doi          = {{10.1103/physrevb.72.075353}},
  volume       = {{72}},
  year         = {{2005}},
}

@article{13704,
  author       = {{Seino, K. and Schmidt, Wolf Gero}},
  issn         = {{0039-6028}},
  journal      = {{Surface Science}},
  pages        = {{191--196}},
  title        = {{{Conformation-selective adsorption of 2,3-butanediol on Si(001)}}},
  doi          = {{10.1016/j.susc.2005.04.029}},
  year         = {{2005}},
}

@article{13707,
  author       = {{Hermann, Andreas and Schmidt, Wolf Gero and Bechstedt, Friedhelm}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{7928--7933}},
  title        = {{{Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response}}},
  doi          = {{10.1021/jp0500182}},
  volume       = {{109}},
  year         = {{2005}},
}

@article{13698,
  author       = {{Schmidt, Wolf Gero}},
  issn         = {{0370-1972}},
  journal      = {{physica status solidi (b)}},
  number       = {{13}},
  pages        = {{2751--2764}},
  title        = {{{Calculation of reflectance anisotropy for semiconductor surface exploration}}},
  doi          = {{10.1002/pssb.200541112}},
  volume       = {{242}},
  year         = {{2005}},
}

@article{13703,
  author       = {{Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F.}},
  issn         = {{0031-9007}},
  journal      = {{Physical Review Letters}},
  title        = {{{Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)}}},
  doi          = {{10.1103/physrevlett.94.236102}},
  volume       = {{94}},
  year         = {{2005}},
}

@article{13846,
  author       = {{Hahn, P. H. and Schmidt, Wolf Gero and Bechstedt, F.}},
  issn         = {{1098-0121}},
  journal      = {{Physical Review B}},
  number       = {{24}},
  title        = {{{Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics}}},
  doi          = {{10.1103/physrevb.72.245425}},
  volume       = {{72}},
  year         = {{2005}},
}