Publications of Matthias Scheffler
All genres
Journal Article (609)
2012
Journal Article
, A. Tkatchenko, and M. Scheffler: Benzene adsorbed on Si(001): The role of electron correlation and finite temperature. Physical Review B 85 (4), 041403 (2012).
Journal Article
, P. Rinke and M. Scheffler: Electronic properties of lanthanide oxides from the GW perspective. Physical Review B 86 (12), 125115 (2012).
Journal Article
X. Ren, P. Rinke, and M. Scheffler: Random-phase approximation and its applications in computational chemistry and materials science. Journal of Materials Science 47 (21), 7447–7471 (2012).
Journal Article
, P. Rinke, , , , M. Scheffler and : Strain effects and band parameters in MgO, ZnO, and CdO. Applied Physics Letters 101 (15), 152105 (2012).
2011
Journal Article
G.-X. Zhang, A. Tkatchenko, J. Paier, H. Appel and M. Scheffler: Van der Waals Interactions in Ionic and Semiconductor Solids. Physical Review Letters 107 (24), 245501 (2011).
Journal Article
, A. Tkatchenko, M. Rossi, V. Gobre, , M. Scheffler and : Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. Journal of Chemical Theory and Computation 7 (12), 3944–3951 (2011).
Journal Article
B. Santra, , , A. Tkatchenko, , , and M. Scheffler: Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures. Physical Review Letters 107 (18), 185701 (2011).
Journal Article
, , C. Carbogno and M. Scheffler: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional. Angewandte Chemie International Edition 50 (43), 10221–10225 (2011).
Journal Article
H.-J. Freund, G. Meijer, M. Scheffler, R. Schlögl and M. Wolf: Die CO-Oxidation als Modellreaktion für heterogene Prozesse. Angewandte Chemie 123 (43), 10242–10275 (2011).
Journal Article
H.-J. Freund, G. Meijer, M. Scheffler, R. Schlögl and M. Wolf: CO oxidation as a prototypical reaction for heterogeneous processes. Angewandte Chemie International Edition 50 (43), 10064–10094 (2011).
Journal Article
E.C. Beret, L.M. Ghiringhelli and M. Scheffler: Free gold clusters: beyond the static, monostructure description. Faraday Discussions 152 (1), 153–167 (2011).
Journal Article
M. Yoon, and M. Scheffler: Enhanced dipole moments in photo-excited TTF–TCNQ dimers. New Journal of Physics 13 (7), 073039 (2011).
Journal Article
X. Ren, A. Tkatchenko, P. Rinke and M. Scheffler: Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations. Physical review letters 106, 153003 (2011).
Journal Article
A. Tkatchenko, M. Rossi, V. Blum, and M. Scheffler: Unraveling the Stability of Polypeptide Helices: Critical Role of van der Waals Interactions. Physical Review Letters 106, 118102 (2011).
Journal Article
, , S.V. Levchenko, R. Horn, M. Baerns, M. Scheffler, R. Schlögl and : A Critical Assessment of Li/MgO-Based Catalysts for the Oxidative Coupling of Methane. Catalysis Reviews: Science and Engineering 53 (4), 424–514 (2011).
Journal Article
, , , and M. Scheffler: Analytic many-body potential for GaAs(001) homoepitaxy: Bulk and surface properties. Physical Review B 83, 195328 (2011).
Journal Article
, P. Rinke, M. Winkelnkemper, A. Qteish, , M. Scheffler and : Band parameters and strain effects in ZnO and group-III nitrides. Semiconductor Science and Technology 26, 014037 (2011).
2010
Journal Article
P. Havu, V. Blum, V. Havu, P. Rinke and M. Scheffler: Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory. Physical Review B, in press.
Journal Article
, R.I. Gomez-Abal, P. Rinke and M. Scheffler: First-principles modeling of localized d states with the GW@LDA+U approach. Physical Review B 82 (4), 045108 (2010).
Journal Article
P. Myrach, N. Nilius, S.V. Levchenko, A. Gonchar, T. Risse, , , W. Frandsen, R. Horn, H.-J. Freund, R. Schlögl and M. Scheffler: Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO. ChemCatChem: heterogeneous & homogeneous & bio-catalysis 2 (7), 854–862 (2010).