Publications of Matthias Scheffler
All genres
Journal Article (600)
2012
Journal Article
M. Casadei, X. Ren, P. Rinke, A. Rubio and M. Scheffler: Density-Functional Theory for f-Electron Systems: The α-γ Phase Transition in Cerium. Physical Review Letters 109 (14), 146402 (2012).
Journal Article
F. Caruso, P. Rinke, X. Ren, M. Scheffler and A. Rubio: Unified description of ground and excited states of finite systems: The self-consistent GW approach. Physical Review B 86 (8), 081102(R) (2012).
Journal Article
A. Tkatchenko, , and M. Scheffler: Accurate and Efficient Method for Many-Body van der Waals Interactions. Physical Review Letters 108 (23), 236402 (2012).
Journal Article
X. Ren, P. Rinke, V. Blum, J. Wieferink, A. Tkatchenko, A.G. Sanfilippo, K. Reuter and M. Scheffler: Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions. New Journal of Physics 14 (5), 053020 (2012).
Journal Article
V.G. Ruiz, W. Liu, , M. Scheffler and A. Tkatchenko: Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems. Physical Review Letters 108 (14), 146103 (2012).
Journal Article
, X. Ren, P. Rinke, , , and M. Scheffler: Assessment of correlation energies based on the random-phase approximation. New Journal of Physics 14 (4), 043002 (2012).
Journal Article
, , M. Scheffler and : Role of nitrogen vacancies in the luminescence of Mg-doped GaN. Applied Physics Letters 100 (14), 142110 (2012).
Journal Article
P. Rinke, , , , , , M. Scheffler and : First-Principles Optical Spectra for F Centers in MgO. Physical Review Letters 108 (12), 126404 (2012).
Journal Article
X. Li, R. Gomez Abal, H. Jiang, and M. Scheffler: Impact of widely used approximations to the G0W0 method: an all-electron perspective. New Journal of Physics 14 (2), 023006 (2012).
Journal Article
W. Liu, A.A. Savara, X. Ren, W. Ludwig, K.-H. Dostert, S. Schauermann, A. Tkatchenko, H.-J. Freund and M. Scheffler: Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111). The Journal of Physical Chemistry Letters 3 (5), 582–586 (2012).
Journal Article
, , P. Rinke and M. Scheffler: New Perspective on Formation Energies and Energy Levels of Point Defects in Nonmetals. Physical Review Letters 108 (6), 066404 (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).