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360 Publications


2006 | Journal Article | LibreCat-ID: 13686
Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction
W.G. Schmidt, K. Seino, M. Preuss, A. Hermann, F. Ortmann, F. Bechstedt, Applied Physics A 85 (2006) 387–397.
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2006 | Journal Article | LibreCat-ID: 13688
Adsorption of phenylglycine on copper: Density functional calculations
S. Blankenburg, W.G. Schmidt, Physical Review B 74 (2006).
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2006 | Journal Article | LibreCat-ID: 13689
Structure, energetics, and vibrational spectra of perylene adsorbed on Si(001): First-principles calculations compared with STM and HREELS
M. Preuss, R. Miotto, F. Bechstedt, T. Rada, N.V. Richardson, W.G. Schmidt, Physical Review B 74 (2006).
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2006 | Journal Article | LibreCat-ID: 13690
Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations
C. Thierfelder, A. Hermann, P. Schwerdtfeger, W.G. Schmidt, Physical Review B 74 (2006).
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2006 | Journal Article | LibreCat-ID: 13691 LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13692
Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation
W.G. Schmidt, A. Hermann, F. Fuchs, F. Bechstedt, Current Applied Physics 6 (2006) 525–530.
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2006 | Journal Article | LibreCat-ID: 13693
Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping
W.G. Schmidt, K. Seino, Current Applied Physics 6 (2006) 331–333.
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2006 | Journal Article | LibreCat-ID: 13694 LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13695
Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics
P.H. Hahn, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2006).
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2006 | Journal Article | LibreCat-ID: 13845 LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13696
Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl
F. Bechstedt, K. Seino, P.H. Hahn, W.G. Schmidt, Physical Review B 72 (2005).
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2005 | Journal Article | LibreCat-ID: 13697
Attracted by Long-Range Electron Correlation: Adenine on Graphite
F. Ortmann, W.G. Schmidt, F. Bechstedt, Physical Review Letters 95 (2005).
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2005 | Journal Article | LibreCat-ID: 13698
Calculation of reflectance anisotropy for semiconductor surface exploration
W.G. Schmidt, Physica Status Solidi (B) 242 (2005) 2751–2764.
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2005 | Journal Article | LibreCat-ID: 13699
Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN
P.H. Hahn, K. Seino, W.G. Schmidt, J. Furthmüller, F. Bechstedt, Physica Status Solidi (B) 242 (2005) 2720–2728.
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2005 | Journal Article | LibreCat-ID: 13700
VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations
N. Esser, M. Rakel, C. Cobet, W.G. Schmidt, W. Braun, M. Cardona, Physica Status Solidi (B) 242 (2005) 2601–2609.
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2005 | Journal Article | LibreCat-ID: 13701
Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations
F. Fuchs, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 17649–17653.
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2005 | Journal Article | LibreCat-ID: 13702
Understanding the optical anisotropy of oxidized Si(001) surfaces
F. Fuchs, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2005).
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2005 | Journal Article | LibreCat-ID: 13703
Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)
M. Preuss, W.G. Schmidt, F. Bechstedt, Physical Review Letters 94 (2005).
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2005 | Journal Article | LibreCat-ID: 13704
Conformation-selective adsorption of 2,3-butanediol on Si(001)
K. Seino, W.G. Schmidt, Surface Science (2005) 191–196.
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2005 | Journal Article | LibreCat-ID: 13705
Second-harmonic polarizability including electron-hole attraction from band-structure theory
R. Leitsmann, W.G. Schmidt, P.H. Hahn, F. Bechstedt, Physical Review B 71 (2005).
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