Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).

We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.

357 Publications


2006 | Journal Article | LibreCat-ID: 13690
C. Thierfelder, A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations,” Physical Review B, vol. 74, no. 4, 2006.
LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13691
S. Biering, A. Hermann, and W. G. Schmidt, “Adsorption of water on chlorine-terminated Si(111) from first principles: Substrate-induced ordering versus intermolecular interactions,” Physical Review B, vol. 73, no. 23, 2006.
LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13692
W. G. Schmidt, A. Hermann, F. Fuchs, and F. Bechstedt, “Si(001) surface optical anisotropies induced by π-conjugated overlayers and oxidation,” Current Applied Physics, vol. 6, pp. 525–530, 2006.
LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13693
W. G. Schmidt and K. Seino, “Si(001) c(4×2)–p(2×2) surface phase transitions induced by electric fields and doping,” Current Applied Physics, vol. 6, pp. 331–333, 2006.
LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13694
K. Seino, W. G. Schmidt, and A. Ohtake, “Ga-richGaAs(001)surface fromab initiocalculations: Atomic structure of the(4×6)and(6×6)reconstructions,” Physical Review B, vol. 73, no. 3, 2006.
LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13695
P. H. Hahn, W. G. Schmidt, and F. Bechstedt, “Molecular electronic excitations calculated from a solid-state approach: Methodology and numerics,” Physical Review B, vol. 72, no. 24, 2006.
LibreCat | DOI
 

2006 | Journal Article | LibreCat-ID: 13845
F. Ortmann, F. Bechstedt, and W. G. Schmidt, “Semiempirical van der Waals correction to the density functional description of solids and molecular structures,” Physical Review B, vol. 73, no. 20, 2006.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13696
F. Bechstedt, K. Seino, P. H. Hahn, and W. G. Schmidt, “Quasiparticle bands and optical spectra of highly ionic crystals: AlN and NaCl,” Physical Review B, vol. 72, no. 24, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13697
F. Ortmann, W. G. Schmidt, and F. Bechstedt, “Attracted by Long-Range Electron Correlation: Adenine on Graphite,” Physical Review Letters, vol. 95, no. 18, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13698
W. G. Schmidt, “Calculation of reflectance anisotropy for semiconductor surface exploration,” physica status solidi (b), vol. 242, no. 13, pp. 2751–2764, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13699
P. H. Hahn, K. Seino, W. G. Schmidt, J. Furthmüller, and F. Bechstedt, “Quasiparticle and excitonic effects in the optical spectra of diamond, SiC, Si, GaP, GaAs, InP, and AlN,” physica status solidi (b), vol. 242, no. 13, pp. 2720–2728, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13700
N. Esser, M. Rakel, C. Cobet, W. G. Schmidt, W. Braun, and M. Cardona, “VUV-ellipsometry on GaN: Probing conduction band properties by core level excitations,” physica status solidi (b), vol. 242, no. 13, pp. 2601–2609, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13701
F. Fuchs, W. G. Schmidt, and F. Bechstedt, “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations,” The Journal of Physical Chemistry B, vol. 109, pp. 17649–17653, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13702
F. Fuchs, W. G. Schmidt, and F. Bechstedt, “Understanding the optical anisotropy of oxidized Si(001) surfaces,” Physical Review B, vol. 72, no. 7, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13703
M. Preuss, W. G. Schmidt, and F. Bechstedt, “Coulombic Amino Group-Metal Bonding: Adsorption of Adenine on Cu(110),” Physical Review Letters, vol. 94, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13704
K. Seino and W. G. Schmidt, “Conformation-selective adsorption of 2,3-butanediol on Si(001),” Surface Science, pp. 191–196, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13705
R. Leitsmann, W. G. Schmidt, P. H. Hahn, and F. Bechstedt, “Second-harmonic polarizability including electron-hole attraction from band-structure theory,” Physical Review B, vol. 71, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13706
A. Hermann, W. G. Schmidt, and F. Bechstedt, “Optical response ofπ-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study,” Physical Review B, vol. 71, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13707
A. Hermann, W. G. Schmidt, and F. Bechstedt, “Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response,” The Journal of Physical Chemistry B, vol. 109, pp. 7928–7933, 2005.
LibreCat | DOI
 

2005 | Journal Article | LibreCat-ID: 13709
P. H. Hahn, W. G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, and J. Bernholc, “Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding,” Physical Review Letters, vol. 94, p. 037404, 2005.
LibreCat | DOI
 

Filters and Search Terms

(person=468)

Search

Filter Publications

Display / Sort

Citation Style: IEEE

Export / Embed