Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance
A.A. Stekolnikov, K. Seino, F. Bechstedt, S. Wippermann, W.G. Schmidt, A. Calzolari, M.B. Nardelli, Physical Review Letters 98 (2007).
LibreCat: /record/13683
DOI: 10.1103/physrevlett.98.026105

Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface
T. Letzig, F. Willig, P.H. Hahn, W.G. Schmidt, Physical Review B 74 (2006).
LibreCat: /record/13684
DOI: 10.1103/physrevb.74.245307

Clean and pyrrole-functionalized Si- and C-terminated SiC surfaces: First-principles calculations of geometry and energetics compared with LEED and XPS
M. Preuss, F. Bechstedt, W.G. Schmidt, J. Sochos, B. Schröter, W. Richter, Physical Review B 74 (2006).
LibreCat: /record/13685
DOI: 10.1103/physrevb.74.235406

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.
LibreCat: /record/13686
DOI: 10.1007/s00339-006-3691-0

Adsorption of phenylglycine on copper: Density functional calculations
S. Blankenburg, W.G. Schmidt, Physical Review B 74 (2006).
LibreCat: /record/13688
DOI: 10.1103/physrevb.74.155419

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).
LibreCat: /record/13689
DOI: 10.1103/physrevb.74.115402

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).
LibreCat: /record/13690
DOI: 10.1103/physrevb.74.045422

Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions
S. Biering, A. Hermann, W.G. Schmidt, Physical Review B 73 (2006).
LibreCat: /record/13691
DOI: 10.1103/physrevb.73.235429

Si(001) surface optical anisotropies induced by <0-conjugated overlayers and oxidation
W.G. Schmidt, A. Hermann, F. Fuchs, F. Bechstedt, Current Applied Physics 6 (2006) 525–530.
LibreCat: /record/13692
DOI: 10.1016/j.cap.2005.11.069

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.
LibreCat: /record/13693
DOI: 10.1016/j.cap.2005.11.012

Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions
K. Seino, W.G. Schmidt, A. Ohtake, Physical Review B 73 (2006).
LibreCat: /record/13694
DOI: 10.1103/physrevb.73.035317

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).
LibreCat: /record/13695
DOI: 10.1103/physrevb.72.245425

Semiempirical van der Waals correction to the density functional description of solids and molecular structures
F. Ortmann, F. Bechstedt, W.G. Schmidt, Physical Review B 73 (2006).
LibreCat: /record/13845
DOI: 10.1103/physrevb.73.205101

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).
LibreCat: /record/13696
DOI: 10.1103/physrevb.72.245114

Attracted by Long-Range Electron Correlation: Adenine on Graphite
F. Ortmann, W.G. Schmidt, F. Bechstedt, Physical Review Letters 95 (2005).
LibreCat: /record/13697
DOI: 10.1103/physrevlett.95.186101

Calculation of reflectance anisotropy for semiconductor surface exploration
W.G. Schmidt, Physica Status Solidi (B) 242 (2005) 2751–2764.
LibreCat: /record/13698
DOI: 10.1002/pssb.200541112

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.
LibreCat: /record/13699
DOI: 10.1002/pssb.200541128

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.
LibreCat: /record/13700
DOI: 10.1002/pssb.200541315

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.
LibreCat: /record/13701
DOI: 10.1021/jp0501087

Understanding the optical anisotropy of oxidized Si(001) surfaces
F. Fuchs, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2005).
LibreCat: /record/13702
DOI: 10.1103/physrevb.72.075353