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

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

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: /record/13701
DOI: 10.1021/jp0501087

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

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

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

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

Hermann A, Schmidt WG, Bechstedt F. Optical response of<0-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: /record/13706
DOI: 10.1103/physrevb.71.153311

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: /record/13707
DOI: 10.1021/jp0500182

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

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: /record/13846
DOI: 10.1103/physrevb.72.245425

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: /record/13710
DOI: 10.1103/physrevlett.93.266101

Seino K, Schmidt WG. O 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: /record/13711
DOI: 10.1016/j.susc.2004.08.012

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;16:23-34. doi:10.1088/0953-8984/16/39/007
LibreCat: /record/13712
DOI: 10.1088/0953-8984/16/39/007

Palummo M, Pulci O, Sole RD, et al. The Bethe–Salpeter equation: a first-principles approach for calculating surface optical spectra. Journal of Physics: Condensed Matter. 2004;16:13-22. doi:10.1088/0953-8984/16/39/006
LibreCat: /record/13713
DOI: 10.1088/0953-8984/16/39/006

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

Fleischer K, Chandola S, Esser N, et al. Atomic indium nanowires on Si(111): the (4 × 1)–(8 × 2) phase transition studied with reflectance anisotropy spectroscopy. Applied Surface Science. 2004;234:302-306. doi:10.1016/j.apsusc.2004.05.114
LibreCat: /record/13716
DOI: 10.1016/j.apsusc.2004.05.114

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

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

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