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

Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110)
M. Preuss, W.G. Schmidt, F. Bechstedt, Physical Review Letters 94 (2005).
LibreCat: /record/13703
DOI: 10.1103/physrevlett.94.236102

Conformation-selective adsorption of 2,3-butanediol on Si(001)
K. Seino, W.G. Schmidt, Surface Science (2005) 191–196.
LibreCat: /record/13704
DOI: 10.1016/j.susc.2005.04.029

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).
LibreCat: /record/13705
DOI: 10.1103/physrevb.71.195209

Optical response of<0-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study
A. Hermann, W.G. Schmidt, F. Bechstedt, Physical Review B 71 (2005).
LibreCat: /record/13706
DOI: 10.1103/physrevb.71.153311

Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response
A. Hermann, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 7928–7933.
LibreCat: /record/13707
DOI: 10.1021/jp0500182

Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding
P.H. Hahn, W.G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, J. Bernholc, Physical Review Letters 94 (2005) 037404.
LibreCat: /record/13709
DOI: 10.1103/physrevlett.94.037404

Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics
P.H. Hahn, W.G. Schmidt, F. Bechstedt, Physical Review B 72 (2005).
LibreCat: /record/13846
DOI: 10.1103/physrevb.72.245425

Ga-Rich Limit of Surface Reconstructions on GaAs(001): Atomic Structure of the(4×6)Phase
A. Ohtake, P. Kocán, K. Seino, W.G. Schmidt, N. Koguchi, Physical Review Letters 93 (2004) 266101.
LibreCat: /record/13710
DOI: 10.1103/physrevlett.93.266101

O on Si(001): surface optical anisotropy from first-principles calculations
K. Seino, W.G. Schmidt, Surface Science 571 (2004) 157–160.
LibreCat: /record/13711
DOI: 10.1016/j.susc.2004.08.012

Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions
W.G. Schmidt, F. Fuchs, A. Hermann, K. Seino, F. Bechstedt, R. Paßmann, M. Wahl, M. Gensch, K. Hinrichs, N. Esser, S. Wang, W. Lu, J. Bernholc, Journal of Physics: Condensed Matter 16 (2004) 23–34.
LibreCat: /record/13712
DOI: 10.1088/0953-8984/16/39/007

The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra
M. Palummo, O. Pulci, R.D. Sole, A. Marini, P. Hahn, W.G. Schmidt, F. Bechstedt, Journal of Physics: Condensed Matter 16 (2004) 13–22.
LibreCat: /record/13713
DOI: 10.1088/0953-8984/16/39/006

Methylchloride adsorbed on Si(001): an ab initio study
M. Preuss, W.G. Schmidt, K. Seino, F. Bechstedt, Applied Surface Science 234 (2004) 155–161.
LibreCat: /record/13715
DOI: 10.1016/j.apsusc.2004.05.041

Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy
K. Fleischer, S. Chandola, N. Esser, W. Richter, J.. McGilp, W.G. Schmidt, S. Wang, W. Lu, J. Bernholc, Applied Surface Science 234 (2004) 302–306.
LibreCat: /record/13716
DOI: 10.1016/j.apsusc.2004.05.114

Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection
K. Seino, W.G. Schmidt, F. Bechstedt, Physical Review Letters 93 (2004).
LibreCat: /record/13717
DOI: 10.1103/physrevlett.93.036101

Methyl Chloride Adsorption on Si(001)Electronic Structure
M. Preuss, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 108 (2004) 7809–7813.
LibreCat: /record/13718
DOI: 10.1021/jp049661z

Organic modification of surface electronic properties:A first-principles study of uracil on Si(001)
K. Seino, W.G. Schmidt, F. Bechstedt, Physical Review B 69 (2004) 245309.
LibreCat: /record/13719
DOI: 10.1103/physrevb.69.245309