Publications of Matthias Scheffler
All genres
Journal Article (605)
2011
Journal Article
, , Sergey V. Levchenko, Raimund Horn, Manfred Baerns, Matthias Scheffler, Robert Schlögl and : A Critical Assessment of Li/MgO-Based Catalysts for the Oxidative Coupling of Methane.
Journal Article
Beret, Elizabeth C., Luca M. Ghiringhelli and Matthias Scheffler: Free gold clusters: beyond the static, monostructure description.
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, , Christian Carbogno and Matthias Scheffler: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional.
Journal Article
, , , and Matthias Scheffler: Analytic many-body potential for GaAs(001) homoepitaxy: Bulk and surface properties.
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Freund, Hans-Joachim, Gerard Meijer, Matthias Scheffler, Robert Schlögl and Martin Wolf: Die CO-Oxidation als Modellreaktion für heterogene Prozesse.
Journal Article
Freund, Hans-Joachim, Gerard Meijer, Matthias Scheffler, Robert Schlögl and Martin Wolf: CO oxidation as a prototypical reaction for heterogeneous processes.
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.
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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.
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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)].
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, and Matthias Scheffler: Stable structure and magnetic state of ultrathin CrAs films on GaAs(001): A density functional theory study.
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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.