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

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

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: /record/13701
DOI: 10.1021/jp0501087

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 
LibreCat: /record/13702
DOI: 10.1103/physrevb.72.075353

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: /record/13703
DOI: 10.1103/physrevlett.94.236102

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 
LibreCat: /record/13704
DOI: 10.1016/j.susc.2005.04.029

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

Hermann, A., Schmidt, W. G., &; Bechstedt, F. (2005). Optical response of<0-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: /record/13706
DOI: 10.1103/physrevb.71.153311

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: /record/13707
DOI: 10.1021/jp0500182

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 
LibreCat: /record/13709
DOI: 10.1103/physrevlett.94.037404

Hahn, P. H., Schmidt, W. G., &; Bechstedt, F. (2005). 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 
LibreCat: /record/13846
DOI: 10.1103/physrevb.72.245425

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

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

Schmidt, W. G., Fuchs, F., Hermann, A., Seino, K., Bechstedt, F., Paßmann, R.,https://doi.org/10.1088/0953-8984/16/39/007__Bernholc, J. (2004). Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy:ab initiopredictions. Journal of Physics: Condensed Matter, 16, 23–34.https://doi.org/10.1088/0953-8984/16/39/007 
LibreCat: /record/13712
DOI: 10.1088/0953-8984/16/39/007

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

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

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

Seino, K., Schmidt, W. G., &; Bechstedt, F. (2004). Energetics of Si(001) Surfaces Exposed to Electric Fields and Charge Injection. Physical Review Letters, 93(3).https://doi.org/10.1103/physrevlett.93.036101 
LibreCat: /record/13717
DOI: 10.1103/physrevlett.93.036101

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

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