Hahn, P. H., et al. “Molecular Electronic Excitations Calculated from a Solid-State Approach: Methodology and Numerics.”10.1103/physrevb.72.245425__Physical Review B, vol. 72, no. 24, 2005, doi:10.1103/physrevb.72.245425.
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DOI: 10.1103/physrevb.72.245425

Ohtake, Akihiro, et al. “Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase.”10.1103/physrevlett.93.266101__Physical Review Letters, vol. 93, 2004, p. 266101, doi: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.”10.1016/j.susc.2004.08.012__Surface Science, vol. 571, no. 157, 2004, pp. 157–60, doi:10.1016/j.susc.2004.08.012.
LibreCat: /record/13711
DOI: 10.1016/j.susc.2004.08.012

Schmidt, Wolf Gero, et al. “Oxidation- and Organic-Molecule-Induced Changes of the Si Surface Optical Anisotropy:Ab Initiopredictions.”10.1088/0953-8984/16/39/007__Journal of Physics: Condensed Matter, vol. 16, 2004, pp. 23–34, doi:10.1088/0953-8984/16/39/007.
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DOI: 10.1088/0953-8984/16/39/007

Palummo, M., et al. “The Bethe–Salpeter Equation: A First-Principles Approach for Calculating Surface Optical Spectra.”10.1088/0953-8984/16/39/006__Journal of Physics: Condensed Matter, vol. 16, 2004, pp. 13–22, doi:10.1088/0953-8984/16/39/006.
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DOI: 10.1088/0953-8984/16/39/006

Preuss, M., et al. “Methylchloride Adsorbed on Si(001): An Ab Initio Study.”10.1016/j.apsusc.2004.05.041__Applied Surface Science, vol. 234, 2004, pp. 155–61, doi:10.1016/j.apsusc.2004.05.041.
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DOI: 10.1016/j.apsusc.2004.05.041

Fleischer, K., et al. “Atomic Indium Nanowires on Si(111): The (4 × 1)–(8 × 2) Phase Transition Studied with Reflectance Anisotropy Spectroscopy.”10.1016/j.apsusc.2004.05.114__Applied Surface Science, vol. 234, 2004, pp. 302–06, doi:10.1016/j.apsusc.2004.05.114.
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DOI: 10.1016/j.apsusc.2004.05.114

Seino, K., et al. “Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection.”10.1103/physrevlett.93.036101__Physical Review Letters, vol. 93, no. 3, 2004, doi:10.1103/physrevlett.93.036101.
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DOI: 10.1103/physrevlett.93.036101

Preuss, M., et al. “Methyl Chloride Adsorption on Si(001)Electronic Structure.”10.1021/jp049661z__The Journal of Physical Chemistry B, vol. 108, 2004, pp. 7809–13, doi:10.1021/jp049661z.
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DOI: 10.1021/jp049661z

Seino, K., et al. “Organic Modification of Surface Electronic Properties:A First-Principles Study of Uracil on Si(001).”10.1103/physrevb.69.245309__Physical Review B, vol. 69, 2004, p. 245309, doi:10.1103/physrevb.69.245309.
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DOI: 10.1103/physrevb.69.245309

Schmidt, Wolf Gero, et al. “Calculation of Surface Optical Properties: From Qualitative Understanding to Quantitative Predictions.”10.1016/j.tsf.2003.11.263__Thin Solid Films, vol. 455–456, 2004, pp. 764–71, doi:10.1016/j.tsf.2003.11.263.
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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.”10.1016/j.susc.2003.11.002__Surface Science, vol. 548, 2004, pp. 183–86, doi:10.1016/j.susc.2003.11.002.
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DOI: 10.1016/j.susc.2003.11.002

Preuss, M., et al. “Ground- and Excited-State Properties of DNA Base Molecules from Plane-Wave Calculations Using Ultrasoft Pseudopotentials.”10.1002/jcc.10372__Journal of Computational Chemistry, vol. 25, no. 1, 2004, pp. 112–22, doi:10.1002/jcc.10372.
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DOI: 10.1002/jcc.10372

Bechstedt, F., et al. “Many-Body and Overlayer Effects on Surface Optical Properties.”10.1002/pssb.200303827__Physica Status Solidi (B), vol. 240, no. 3, 2003, pp. 469–79, doi:10.1002/pssb.200303827.
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DOI: 10.1002/pssb.200303827

Pristovsek, M., et al. “Gallium-Rich Reconstructions on GaAs(001).”10.1002/pssb.200301885__Physica Status Solidi (B), vol. 240, no. 1, 2003, pp. 91–98, doi:10.1002/pssb.200301885.
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DOI: 10.1002/pssb.200301885

Lu, Wenchang, et al. “Cycloaddition Reaction versus Dimer Cleavage at TheSi(001):interface.”10.1103/physrevb.68.115327__Physical Review B, vol. 68, 2003, p. 115327, doi:10.1103/physrevb.68.115327.
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DOI: 10.1103/physrevb.68.115327

Castillo, C., et al. “Layer-by-Layer Analysis of Surface Reflectance Anisotropy in Semiconductors.”10.1103/physrevb.68.041310__Physical Review B, vol. 68, 2003, p. 041310(R), doi:10.1103/physrevb.68.041310.
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DOI: 10.1103/physrevb.68.041310

Wang, Shuchun, et al. “Nanowire-Induced Optical Anisotropy of the Si(111)-In Surface.”10.1103/physrevb.68.035329__Physical Review B, vol. 68, 2003, p. 035329, doi:10.1103/physrevb.68.035329.
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DOI: 10.1103/physrevb.68.035329

Hahn, P. H., et al. “P-RichGaP(001)(2×1)/(2×2)Surface:  A Hydrogen-Adsorbate Structure Determined from First-Principles Calculations.”10.1103/physrevb.68.033311__Physical Review B, vol. 68, 2003, p. 033311, doi:10.1103/physrevb.68.033311.
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DOI: 10.1103/physrevb.68.033311

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