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347 Publications
2006 | Journal Article | LibreCat-ID: 13690
Thierfelder, C., Hermann, A., Schwerdtfeger, P., & Schmidt, W. G. (2006). Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations. Physical Review B, 74(4). https://doi.org/10.1103/physrevb.74.045422
LibreCat
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2006 | Journal Article | LibreCat-ID: 13691
Biering, S., Hermann, A., & Schmidt, W. G. (2006). Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions. Physical Review B, 73(23). https://doi.org/10.1103/physrevb.73.235429
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2006 | Journal Article | LibreCat-ID: 13692
Schmidt, W. G., Hermann, A., Fuchs, F., & Bechstedt, F. (2006). Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation. Current Applied Physics, 6, 525–530. https://doi.org/10.1016/j.cap.2005.11.069
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2006 | Journal Article | LibreCat-ID: 13693
Schmidt, W. G., & Seino, K. (2006). Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping. Current Applied Physics, 6, 331–333. https://doi.org/10.1016/j.cap.2005.11.012
LibreCat
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2006 | Journal Article | LibreCat-ID: 13694
Seino, K., Schmidt, W. G., & Ohtake, A. (2006). Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions. Physical Review B, 73(3). https://doi.org/10.1103/physrevb.73.035317
LibreCat
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2006 | Journal Article | LibreCat-ID: 13695
Hahn, P. H., Schmidt, W. G., & Bechstedt, F. (2006). Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B, 72(24). https://doi.org/10.1103/physrevb.72.245425
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2006 | Journal Article | LibreCat-ID: 13845
Ortmann, F., Bechstedt, F., & Schmidt, W. G. (2006). Semiempirical van der Waals correction to the density functional description of solids and molecular structures. Physical Review B, 73(20). https://doi.org/10.1103/physrevb.73.205101
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2005 | Journal Article | LibreCat-ID: 13696
Bechstedt, F., Seino, K., Hahn, P. H., & Schmidt, W. G. (2005). Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl. Physical Review B, 72(24). https://doi.org/10.1103/physrevb.72.245114
LibreCat
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2005 | Journal Article | LibreCat-ID: 13697
Ortmann, F., Schmidt, W. G., & Bechstedt, F. (2005). Attracted by Long-Range Electron Correlation: Adenine on Graphite. Physical Review Letters, 95(18). https://doi.org/10.1103/physrevlett.95.186101
LibreCat
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2005 | Journal Article | LibreCat-ID: 13698
Schmidt, W. G. (2005). Calculation of reflectance anisotropy for semiconductor surface exploration. Physica Status Solidi (B), 242(13), 2751–2764. https://doi.org/10.1002/pssb.200541112
LibreCat
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2005 | Journal Article | LibreCat-ID: 13699
Hahn, P. H., Seino, K., Schmidt, W. G., Furthmüller, J., & Bechstedt, F. (2005). Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN. Physica Status Solidi (B), 242(13), 2720–2728. https://doi.org/10.1002/pssb.200541128
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2005 | Journal Article | LibreCat-ID: 13700
Esser, N., Rakel, M., Cobet, C., Schmidt, W. G., Braun, W., & Cardona, M. (2005). VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations. Physica Status Solidi (B), 242(13), 2601–2609. https://doi.org/10.1002/pssb.200541315
LibreCat
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2005 | Journal Article | LibreCat-ID: 13701
Fuchs, F., Schmidt, W. G., & Bechstedt, F. (2005). Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations. The Journal of Physical Chemistry B, 109, 17649–17653. https://doi.org/10.1021/jp0501087
LibreCat
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2005 | Journal Article | LibreCat-ID: 13702
Fuchs, F., Schmidt, W. G., & Bechstedt, F. (2005). Understanding the optical anisotropy of oxidized Si(001) surfaces. Physical Review B, 72(7). https://doi.org/10.1103/physrevb.72.075353
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2005 | Journal Article | LibreCat-ID: 13703
Preuss, M., Schmidt, W. G., & Bechstedt, F. (2005). Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110). Physical Review Letters, 94. https://doi.org/10.1103/physrevlett.94.236102
LibreCat
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2005 | Journal Article | LibreCat-ID: 13704
Seino, K., & Schmidt, W. G. (2005). Conformation-selective adsorption of 2,3-butanediol on Si(001). Surface Science, 191–196. https://doi.org/10.1016/j.susc.2005.04.029
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2005 | Journal Article | LibreCat-ID: 13705
Leitsmann, R., Schmidt, W. G., Hahn, P. H., & Bechstedt, F. (2005). Second-harmonic polarizability including electron-hole attraction from band-structure theory. Physical Review B, 71. https://doi.org/10.1103/physrevb.71.195209
LibreCat
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2005 | Journal Article | LibreCat-ID: 13706
Hermann, A., Schmidt, W. G., & Bechstedt, F. (2005). Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study. Physical Review B, 71. https://doi.org/10.1103/physrevb.71.153311
LibreCat
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2005 | Journal Article | LibreCat-ID: 13707
Hermann, A., Schmidt, W. G., & Bechstedt, F. (2005). Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response. The Journal of Physical Chemistry B, 109, 7928–7933. https://doi.org/10.1021/jp0500182
LibreCat
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2005 | Journal Article | LibreCat-ID: 13709
Hahn, P. H., Schmidt, W. G., Seino, K., Preuss, M., Bechstedt, F., & Bernholc, J. (2005). Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding. Physical Review Letters, 94, 037404. https://doi.org/10.1103/physrevlett.94.037404
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