Publications of Matthias Scheffler
All genres
Journal Article (603)
2013
Journal Article
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.
Journal Article
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.
Journal Article
, Patrick Rinke and Matthias Scheffler: Electronic properties of lanthanide oxides from the GW perspective.
Journal Article
, Alexandre Tkatchenko, and Matthias Scheffler: Benzene adsorbed on Si(001): The role of electron correlation and finite temperature.
Journal Article
Li, Xinzheng, Ricardo Gomez Abal, Hong Jiang, and Matthias Scheffler: Impact of widely used approximations to the G0W0 method: an all-electron perspective.
Journal Article
Liu, Wei, , Biswajit Santra, , Matthias Scheffler and Alexandre Tkatchenko: Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding.
Journal Article
Liu, Wei, Aditya Ashi Savara, Xinguo Ren, Wiebke Ludwig, Karl-Heinz Dostert, Swetlana Schauermann, Alexandre Tkatchenko, Hans-Joachim Freund and Matthias Scheffler: Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111).
Journal Article
, Fabio Caruso, Xinguo Ren, Oliver T. Hofmann, , , Angel Rubio, Matthias Scheffler and Patrick Rinke: Benchmark of GW methods for azabenzenes.
Journal Article
, Xinguo Ren, Patrick Rinke, , , and Matthias Scheffler: Assessment of correlation energies based on the random-phase approximation.
Journal Article
, , Patrick Rinke and Matthias Scheffler: New Perspective on Formation Energies and Energy Levels of Point Defects in Nonmetals.
Journal Article
Ren, Xinguo, Patrick Rinke, Volker Blum, Jürgen Wieferink, Alexandre Tkatchenko, Andrea G. Sanfilippo, Karsten Reuter and Matthias Scheffler: Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions.
Journal Article
Ren, Xinguo, Patrick Rinke, and Matthias Scheffler: Random-phase approximation and its applications in computational chemistry and materials science.
Journal Article
Rinke, Patrick, , , , , , Matthias Scheffler and : First-Principles Optical Spectra for F Centers in MgO.
Journal Article
Ruiz, Victor G., Wei Liu, , Matthias Scheffler and Alexandre Tkatchenko: Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems.
Journal Article
Tkatchenko, Alexandre, , and Matthias Scheffler: Accurate and Efficient Method for Many-Body van der Waals Interactions.
Journal Article
, , Matthias Scheffler and : Role of nitrogen vacancies in the luminescence of Mg-doped GaN.
Journal Article
, Patrick Rinke, , , , Matthias Scheffler and : Strain effects and band parameters in MgO, ZnO, and CdO.
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.