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381 Publications
2005 | Journal Article | LibreCat-ID: 13698
W. G. Schmidt, “Calculation of reflectance anisotropy for semiconductor surface exploration,” physica status solidi (b), vol. 242, no. 13, pp. 2751–2764, 2005, doi: 10.1002/pssb.200541112.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13703
M. Preuss, W. G. Schmidt, and F. Bechstedt, “Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110),” Physical Review Letters, vol. 94, 2005, doi: 10.1103/physrevlett.94.236102.
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13846
P. H. Hahn, W. G. Schmidt, and F. Bechstedt, “Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics,” Physical Review B, vol. 72, no. 24, 2005, doi: 10.1103/physrevb.72.245425.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 4272
A. Zeiser et al., “Dynamics of the phonon-induced electron transfer between semiconductor bulk and surface states,” physica status solidi (b), vol. 241, no. 12, pp. R60–R62, 2004, doi: 10.1002/pssb.200409060.
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| DOI
2004 | Journal Article | LibreCat-ID: 13719
K. Seino, W. G. Schmidt, and F. Bechstedt, “Organic modification of surface electronic properties: A first-principles study of uracil on Si(001),” Physical Review B, vol. 69, p. 245309, 2004, doi: 10.1103/physrevb.69.245309.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13712
W. G. Schmidt et al., “Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions,” Journal of Physics: Condensed Matter, vol. 16, pp. S4323–S4334, 2004, doi: 10.1088/0953-8984/16/39/007.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13716
K. Fleischer et al., “Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy,” Applied Surface Science, vol. 234, pp. 302–306, 2004, doi: 10.1016/j.apsusc.2004.05.114.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13713
M. Palummo et al., “The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra,” Journal of Physics: Condensed Matter, vol. 16, pp. S4313–S4322, 2004, doi: 10.1088/0953-8984/16/39/006.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13710
A. Ohtake, P. Kocán, K. Seino, W. G. Schmidt, and N. Koguchi, “Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase,” Physical Review Letters, vol. 93, p. 266101, 2004, doi: 10.1103/physrevlett.93.266101.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13717
K. Seino, W. G. Schmidt, and F. Bechstedt, “Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection,” Physical Review Letters, vol. 93, no. 3, 2004, doi: 10.1103/physrevlett.93.036101.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13718
M. Preuss, W. G. Schmidt, and F. Bechstedt, “Methyl Chloride Adsorption on Si(001)−Electronic Structure,” The Journal of Physical Chemistry B, vol. 108, pp. 7809–7813, 2004, doi: 10.1021/jp049661z.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13715
M. Preuss, W. G. Schmidt, K. Seino, and F. Bechstedt, “Methylchloride adsorbed on Si(001): an ab initio study,” Applied Surface Science, vol. 234, pp. 155–161, 2004, doi: 10.1016/j.apsusc.2004.05.041.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13711
K. Seino and W. G. Schmidt, “H2O on Si(001): surface optical anisotropy from first-principles calculations,” Surface Science, vol. 571, no. 157, pp. 157–160, 2004, doi: 10.1016/j.susc.2004.08.012.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13722
M. Preuss, W. G. Schmidt, K. Seino, J. Furthmüller, and F. Bechstedt, “Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials,” Journal of Computational Chemistry, vol. 25, no. 1, pp. 112–122, 2004, doi: 10.1002/jcc.10372.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13720
W. G. Schmidt et al., “Calculation of surface optical properties: from qualitative understanding to quantitative predictions,” Thin Solid Films, vol. 455–456, pp. 764–771, 2004, doi: 10.1016/j.tsf.2003.11.263.
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13721
K. Seino and W. G. Schmidt, “Reflectance anisotropy of uracil covered Si(001) surfaces: Ab initio predictions,” Surface Science, vol. 548, pp. 183–186, 2004, doi: 10.1016/j.susc.2003.11.002.
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13734
W. G. Schmidt, S. Glutsch, P. H. Hahn, and F. Bechstedt, “EfficientO(N2)method to solve the Bethe-Salpeter equation,” Physical Review B, vol. 67, p. 085307, 2003, doi: 10.1103/physrevb.67.085307.
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13735
K. Seino, W. G. Schmidt, J. Furthmüller, and F. Bechstedt, “Chemisorption of pyrrole and polypyrrole on Si(001),” Physical Review B, vol. 66, p. 235323, 2003, doi: 10.1103/physrevb.66.235323.
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13729
W. G. Schmidt and K. Seino, “Pyrrole (C4H4NH) and Polypyrrole Functionalized Silicon Surfaces Calculated from First Principles,” Surface Review and Letters, vol. 10, no. 2–3, pp. 221–226, 2003, doi: 10.1142/s0218625x03004901.
LibreCat
| DOI
2003 | Journal Article | LibreCat-ID: 13730
P. H. Hahn and W. G. Schmidt, “Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation,” Surface Review and Letters, vol. 10, no. 2–3, pp. 163–167, 2003, doi: 10.1142/s0218625x03004913.
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