Publications of Matthias Scheffler
All genres
Journal Article (599)
2011
Journal Article
, Alexandre Tkatchenko, Mariana Rossi, Vivekanand Gobre, , Matthias Scheffler and : Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals.
Journal Article
Ren, Xinguo, Alexandre Tkatchenko, Patrick Rinke and Matthias Scheffler: Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations.
Journal Article
Santra, Biswajit, , , Alexandre Tkatchenko, , , and Matthias Scheffler: Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures.
Journal Article
Tkatchenko, Alexandre, Mariana Rossi, Volker Blum, and Matthias Scheffler: Unraveling the Stability of Polypeptide Helices: Critical Role of van der Waals Interactions.
Journal Article
, Patrick Rinke, Momme Winkelnkemper, A. Qteish, , Matthias Scheffler and : Band parameters and strain effects in ZnO and group-III nitrides.
Journal Article
Yoon, Mina, and Matthias Scheffler: Enhanced dipole moments in photo-excited TTF–TCNQ dimers.
Journal Article
Zhang, Guo-Xu, Alexandre Tkatchenko, Joachim Paier, Heiko Appel and Matthias Scheffler: Van der Waals Interactions in Ionic and Semiconductor Solids.
2010
Journal Article
Hammerschmidt, Thomas, Peter Kratzer and Matthias Scheffler: Erratum: Analytic many-body potential for InAsÕGaAs surfaces and nanostructures: Formation energy of InAs quantum dots [Phys. Rev. B 77, 235303 (2008)].
Journal Article
, and Matthias Scheffler: Stable structure and magnetic state of ultrathin CrAs films on GaAs(001): A density functional theory study.
Journal Article
Havu, Paula, Volker Blum, Ville Havu, Patrick Rinke and Matthias Scheffler: Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory.
Journal Article
, Ricardo I. Gomez-Abal, Patrick Rinke and Matthias Scheffler: First-principles modeling of localized d states with the GW@LDA+U approach.
Journal Article
Jiang, Hong, Ricardo I. Gomez-Abal, Patrick Rinke and Matthias Scheffler: Electronic band structure of zirconia and hafnia polymorphs from the GW perspective.
Journal Article
, Alexandre Tkatchenko, Matthias Scheffler and : Describing both dispersion interactions and electronic structure using density functional theory: The case of metal-phthalocyanine dimers.
Journal Article
Mulakaluri, Narasimham, and Matthias Scheffler: Coverage-dependent adsorption mode of water on Fe3O4(001): Insights from first principles calculations.
Journal Article
Myrach, Philipp, Niklas Nilius, Sergey V. Levchenko, Anastasia Gonchar, Thomas Risse, , , Wiebke Frandsen, Raimund Horn, Hans-Joachim Freund, Robert Schlögl and Matthias Scheffler: Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO.
Journal Article
, , and Matthias Scheffler: First-principles study of the mechanism of ethylene epoxidation over Ag-Cu particles.
Journal Article
, Spiros Zafeiratos, , Thomas W. Hansen, Michael Hävecker, Detre Teschner, , Frank Girgsdies, Axel Knop-Gericke, Robert Schlögl and Matthias Scheffler: Alloy catalyst in a reactive environment: The example of Ag-Cu particles for ethylene epoxidation.
Journal Article
Rossi, Mariana, Volker Blum, Peter Kupser, Gert von Helden, Frauke Bierau, , Gerard Meijer and Matthias Scheffler: Secondary Structure of Ac-Alan-LysH+ Polyalanine Peptides (n = 5,10,15) in Vacuo: Helical or Not?
Journal Article
Tkatchenko, Alexandre, , , , and Matthias Scheffler: Van der Waals interactions between organic adsorbates and at organic/inorganic interfaces.
Journal Article
, , , , Matthias Scheffler and : Magnetism in C- or N-doped MgO and ZnO: A Density-Functional Study of Impurity Pairs.