M. Landmann, E. Rauls, and W. G. Schmidt, “First-principles calculations of clean Au(110) surfaces and chemisorption of atomic oxygen,” Physical Review B, vol. 79, no. 4, 2009.
LibreCat: /record/13665
DOI: 10.1103/physrevb.79.045412

P. Giannozzi et al., “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” Journal of Physics: Condensed Matter, vol. 21, no. 39, 2009.
LibreCat: /record/13802
DOI: 10.1088/0953-8984/21/39/395502

S. Wippermann and W. G. Schmidt, “Optical anisotropy of the In/Si(111)(4×1)/(8×2) nanowire array,” Surface Science, vol. 603, pp. 247–250, 2008.
LibreCat: /record/13663
DOI: 10.1016/j.susc.2008.11.013

S. Wippermann and W. G. Schmidt, “Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated from first principles,” Physical Review B, vol. 78, no. 23, 2008.
LibreCat: /record/13666
DOI: 10.1103/physrevb.78.235439

S. Blankenburg and W. G. Schmidt, “Spatial modulation of molecular adsorption energies due to indirect interaction,” Physical Review B, vol. 78, 2008.
LibreCat: /record/13667
DOI: 10.1103/physrevb.78.233411

E. Rauls and W. G. Schmidt, “Influence of the Side Group Aromaticity on the Organic Molecule Adsorption on Cu(110),” Journal of Physical Chemistry C, vol. 112, pp. 11490–11494, 2008.
LibreCat: /record/13668
DOI: 10.1021/jp8037297

E. Rauls, S. J. Dijkstra, and W. G. Schmidt, “Atomic structure and energetics of thec-GaN(001) surface,” Physical Review B, vol. 78, no. 11, 2008.
LibreCat: /record/13669
DOI: 10.1103/physrevb.78.113302

E. Rauls, S. Blankenburg, and W. G. Schmidt, “DFT calculations of adenine adsorption on coin metal (110) surfaces,” Surface Science, vol. 602, pp. 2170–2174, 2008.
LibreCat: /record/13670
DOI: 10.1016/j.susc.2008.04.029

A. Hermann, W. G. Schmidt, and P. Schwerdtfeger, “Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects,” Physical Review Letters, vol. 100, no. 20, 2008.
LibreCat: /record/13671
DOI: 10.1103/physrevlett.100.207403

A. Hermann, P. Schwerdtfeger, and W. G. Schmidt, “Theoretical study of the localization of excess electrons at the surface of ice,” Journal of Physics: Condensed Matter, vol. 20, 2008.
LibreCat: /record/13672
DOI: 10.1088/0953-8984/20/22/225003

S. Wippermann, N. Koch, and W. G. Schmidt, “Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering and Structural Effects,” Physical Review Letters, vol. 100, no. 10, 2008.
LibreCat: /record/13674
DOI: 10.1103/physrevlett.100.106802

B. Lange and W. G. Schmidt, “Ammonia adsorption on Cl/Si(001): First-principles calculations,” Surface Science, vol. 602, pp. 1207–1211, 2008.
LibreCat: /record/13675
DOI: 10.1016/j.susc.2008.01.024

W. G. Schmidt et al., “LiNbO3ground- and excited-state properties from first-principles calculations,” Physical Review B, vol. 77, 2008.
LibreCat: /record/13676
DOI: 10.1103/physrevb.77.035106

C. Thierfelder and W. G. Schmidt, “Ethanol adsorbed on ice: A first-principles study,” Physical Review B, vol. 76, no. 19, 2007.
LibreCat: /record/13677
DOI: 10.1103/physrevb.76.195426

S. Blankenburg and W. G. Schmidt, “Long-Range Chiral Recognition due to Substrate Locking and Substrate-Adsorbate Charge Transfer,” Physical Review Letters, vol. 99, no. 19, 2007.
LibreCat: /record/13678
DOI: 10.1103/physrevlett.99.196107

S. Blankenburg and W. G. Schmidt, “Steric effects and chirality in the adsorption of glycine and phenylglycine on Cu(110),” Nanotechnology, vol. 18, 2007.
LibreCat: /record/13680
DOI: 10.1088/0957-4484/18/42/424030

S. Wippermann et al., “Quantum conductance of In nanowires on Si(111) from first principles calculations,” Surface Science, pp. 4045–4047, 2007.
LibreCat: /record/13681
DOI: 10.1016/j.susc.2007.04.053

A. A. Stekolnikov et al., “Hexagon versus Trimer Formation in In Nanowires on Si(111): Energetics and Quantum Conductance,” Physical Review Letters, vol. 98, no. 2, 2007.
LibreCat: /record/13683
DOI: 10.1103/physrevlett.98.026105

S. Schulz, S. Schumacher, and G. Czycholl, “Tight-binding model for semiconductor quantum dots with a wurtzite crystal structure: From one-particle properties to Coulomb correlations and optical spectra,” Physical Review B, 2006.
LibreCat: /record/15848
DOI: 10.1103/physrevb.73.245327

T. Letzig, F. Willig, P. H. Hahn, and W. G. Schmidt, “Experimental and theoretical evidence for a hydrogen stabilizedc(2×2)reconstruction of the P-rich InP(001) surface,” Physical Review B, vol. 74, no. 24, 2006.
LibreCat: /record/13684
DOI: 10.1103/physrevb.74.245307