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343 Publications
2006 | Journal Article | LibreCat-ID: 13694
Seino K, Schmidt WG, Ohtake A. Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions. Physical Review B. 2006;73(3). doi:10.1103/physrevb.73.035317
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13695
Hahn PH, Schmidt WG, Bechstedt F. Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B. 2006;72(24). doi:10.1103/physrevb.72.245425
LibreCat
| DOI
2006 | Journal Article | LibreCat-ID: 13845
Ortmann F, Bechstedt F, Schmidt WG. Semiempirical van der Waals correction to the density functional description of solids and molecular structures. Physical Review B. 2006;73(20). doi:10.1103/physrevb.73.205101
LibreCat
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2005 | Journal Article | LibreCat-ID: 13696
Bechstedt F, Seino K, Hahn PH, Schmidt WG. Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl. Physical Review B. 2005;72(24). doi:10.1103/physrevb.72.245114
LibreCat
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2005 | Journal Article | LibreCat-ID: 13697
Ortmann F, Schmidt WG, Bechstedt F. Attracted by Long-Range Electron Correlation: Adenine on Graphite. Physical Review Letters. 2005;95(18). doi:10.1103/physrevlett.95.186101
LibreCat
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2005 | Journal Article | LibreCat-ID: 13698
Schmidt WG. Calculation of reflectance anisotropy for semiconductor surface exploration. physica status solidi (b). 2005;242(13):2751-2764. doi:10.1002/pssb.200541112
LibreCat
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2005 | Journal Article | LibreCat-ID: 13699
Hahn PH, Seino K, Schmidt WG, Furthmüller J, Bechstedt F. Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN. physica status solidi (b). 2005;242(13):2720-2728. doi:10.1002/pssb.200541128
LibreCat
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2005 | Journal Article | LibreCat-ID: 13700
Esser N, Rakel M, Cobet C, Schmidt WG, Braun W, Cardona M. VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations. physica status solidi (b). 2005;242(13):2601-2609. doi:10.1002/pssb.200541315
LibreCat
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2005 | Journal Article | LibreCat-ID: 13701
Fuchs F, Schmidt WG, Bechstedt F. Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations. The Journal of Physical Chemistry B. 2005;109:17649-17653. doi:10.1021/jp0501087
LibreCat
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2005 | Journal Article | LibreCat-ID: 13702
Fuchs F, Schmidt WG, Bechstedt F. Understanding the optical anisotropy of oxidized Si(001) surfaces. Physical Review B. 2005;72(7). doi:10.1103/physrevb.72.075353
LibreCat
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2005 | Journal Article | LibreCat-ID: 13703
Preuss M, Schmidt WG, Bechstedt F. Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110). Physical Review Letters. 2005;94. doi:10.1103/physrevlett.94.236102
LibreCat
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2005 | Journal Article | LibreCat-ID: 13704
Seino K, Schmidt WG. Conformation-selective adsorption of 2,3-butanediol on Si(001). Surface Science. 2005:191-196. doi:10.1016/j.susc.2005.04.029
LibreCat
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2005 | Journal Article | LibreCat-ID: 13705
Leitsmann R, Schmidt WG, Hahn PH, Bechstedt F. Second-harmonic polarizability including electron-hole attraction from band-structure theory. Physical Review B. 2005;71. doi:10.1103/physrevb.71.195209
LibreCat
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2005 | Journal Article | LibreCat-ID: 13706
Hermann A, Schmidt WG, Bechstedt F. Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study. Physical Review B. 2005;71. doi:10.1103/physrevb.71.153311
LibreCat
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2005 | Journal Article | LibreCat-ID: 13707
Hermann A, Schmidt WG, Bechstedt F. Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response. The Journal of Physical Chemistry B. 2005;109:7928-7933. doi:10.1021/jp0500182
LibreCat
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2005 | Journal Article | LibreCat-ID: 13709
Hahn PH, Schmidt WG, Seino K, Preuss M, Bechstedt F, Bernholc J. Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding. Physical Review Letters. 2005;94:037404. doi:10.1103/physrevlett.94.037404
LibreCat
| DOI
2005 | Journal Article | LibreCat-ID: 13846
Hahn PH, Schmidt WG, Bechstedt F. Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics. Physical Review B. 2005;72(24). doi:10.1103/physrevb.72.245425
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13710
Ohtake A, Kocán P, Seino K, Schmidt WG, Koguchi N. Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase. Physical Review Letters. 2004;93:266101. doi:10.1103/physrevlett.93.266101
LibreCat
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2004 | Journal Article | LibreCat-ID: 13711
Seino K, Schmidt WG. H2O on Si(001): surface optical anisotropy from first-principles calculations. Surface Science. 2004;571(157):157-160. doi:10.1016/j.susc.2004.08.012
LibreCat
| DOI
2004 | Journal Article | LibreCat-ID: 13712
Schmidt WG, Fuchs F, Hermann A, et al. Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions. Journal of Physics: Condensed Matter. 2004;16:S4323-S4334. doi:10.1088/0953-8984/16/39/007
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