Publications of Matthias Scheffler
All genres
Journal Article (599)
2013
Journal Article
Ghiringhelli, Luca M., Philipp Gruene, Jonathan T. Lyon, , Gerard Meijer, André Fielicke and Matthias Scheffler: Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes.
Journal Article
Hansen, Katja, , , , , Matthias Scheffler, , Alexandre Tkatchenko and : Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.
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Hofmann, Oliver T., Viktor Atalla, , Patrick Rinke and Matthias Scheffler: Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory.
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Hofmann, Oliver T., Jan-Christoph Deinert, Yong Xu, Patrick Rinke, Julia Stähler, Martin Wolf and Matthias Scheffler: Large work function reduction by adsorption of a molecule with a negative electron affinity: Pyridine on ZnO(10¯10).
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Jiang, Hong, Ricardo Gomez Abal, Xinzheng Li, , and Matthias Scheffler: FHI-gap: A GW code based on the all-electron augmented plane wave method.
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, , , , Narasimham Mulakaluri, , Matthias Scheffler, , and : X-ray Photoemission and Density Functional Theory Study of the Interaction of Water Vapor with the Fe3O4(001) Surface at Near-Ambient Conditions.
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Liu, Wei, Victor G. Ruiz, Guo-Xu Zhang, Biswajit Santra, Xinguo Ren, Matthias Scheffler and Alexandre Tkatchenko: Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response.
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Nemec, Lydia, Volker Blum, Patrick Rinke and Matthias Scheffler: Thermodynamic equilibrium conditions of graphene films on SiC.
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Ren, Xinguo, Patrick Rinke, and Matthias Scheffler: Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks.
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Richter, Norina, , Sergey V. Levchenko, and Matthias Scheffler: Concentration of Vacancies at Metal Oxide Surfaces: Case Study of MgO(100).
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Rossi, Mariana, Matthias Scheffler and Volker Blum: Impact of Vibrational Entropy on the Stability of Unsolvated Peptide Helices with Increasing Length.
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Santra, Biswajit, , Alexandre Tkatchenko, , , , and Matthias Scheffler: On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures.
Journal Article
, Yong Xu, Oliver T. Hofmann, , , , , , , Patrick Rinke, Matthias Scheffler and : Controlling the work function of ZnO and the energy-level alignment at the interface to organic semiconductors with a molecular electron acceptor.
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, , , , , , Lydia Nemec, Volker Blum, Matthias Scheffler, and : Structural investigation of nanocrystalline graphene grown on (6√3×6√3) R30°-reconstructed SiC surfaces by molecular beam epitaxy.
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Xu, Yong, Oliver T. Hofmann, , , , , , , , , Patrick Rinke and Matthias Scheffler: Space-Charge Transfer in Hybrid Inorganic-Organic Systems.
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, Matthias Scheffler and : Oxidative Dehydrogenation of Methane by Isolated Vanadium Oxide Clusters Supported on Au (111) and Ag (111) Surfaces.
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Zhang, Igor Ying, Xinguo Ren, Patrick Rinke, Volker Blum and Matthias Scheffler: Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar.
2012
Journal Article
Caruso, Fabio, Patrick Rinke, Xinguo Ren, Matthias Scheffler and Angel Rubio: Unified description of ground and excited states of finite systems: The self-consistent GW approach.
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Casadei, Marco, Xinguo Ren, Patrick Rinke, Angel Rubio and Matthias Scheffler: Density-Functional Theory for f-Electron Systems: The α-γ Phase Transition in Cerium.
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, Patrick Rinke and Matthias Scheffler: Electronic properties of lanthanide oxides from the GW perspective.