Publications of Matthias Scheffler

Casadei, M.; Ren, X.; Rinke, P.; Rubio, A.; Scheffler, M.: Density-Functional Theory for f-Electron Systems: The α-γ Phase Transition in Cerium. Physical Review Letters 109 (14), 146402 (2012)

Caruso, F.; Rinke, P.; Ren, X.; Scheffler, M.; Rubio, A.: Unified description of ground and excited states of finite systems: The self-consistent GW approach. Physical Review B 86 (8), 081102(R) (2012)

Tkatchenko, A.; DiStasio, R. A.; Car, R.; Scheffler, M.: Accurate and Efficient Method for Many-Body van der Waals Interactions. Physical Review Letters 108 (23), 236402 (2012)

Ren, X.; Rinke, P.; Blum, V.; Wieferink, J.; Tkatchenko, A.; Sanfilippo, A. G.; Reuter, K.; Scheffler, M.: 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)

Ruiz, V. G.; Liu, W.; Zojer, E.; Scheffler, M.; Tkatchenko, A.: Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems. Physical Review Letters 108 (14), 146103 (2012)

Paier, J.; Ren, X.; Rinke, P.; Scuseria, G. E.; Grüneis, A.; Kresse, G.; Scheffler, M.: Assessment of correlation energies based on the random-phase approximation. New Journal of Physics 14 (4), 043002 (2012)

Yan, Q.; Janotti, A.; Scheffler, M.; Van de Walle, C. G.: Role of nitrogen vacancies in the luminescence of Mg-doped GaN. Applied Physics Letters 100 (14), 142110 (2012)

Rinke, P.; Schleife, A.; Kioupakis, E.; Janotti, A.; Rödl, C.; Bechstedt, F.; Scheffler, M.; Van de Walle, C. G.: First-Principles Optical Spectra for F Centers in MgO. Physical Review Letters 108 (12), 126404 (2012)

Li, X.; Gomez Abal, R.; Jiang, H.; Ambrosch-Draxl, C.; Scheffler, M.: Impact of widely used approximations to the G₀W₀ method: an all-electron perspective. New Journal of Physics 14 (2), 023006 (2012)

Liu, W.; Savara, A. A.; Ren, X.; Ludwig, W.; Dostert, K.-H.; Schauermann, S.; Tkatchenko, A.; Freund, H.-J.; Scheffler, M.: Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111). The Journal of Physical Chemistry Letters 3 (5), pp. 582 - 586 (2012)

Ramprasad, R.; Zhu, H.; Rinke, P.; Scheffler, M.: New Perspective on Formation Energies and Energy Levels of Point Defects in Nonmetals. Physical Review Letters 108 (6), 066404 (2012)

Kim, H.-J.; Tkatchenko, A.; Cho, J.-H.; Scheffler, M.: Benzene adsorbed on Si(001): The role of electron correlation and finite temperature. Physical Review B 85 (4), 041403 (2012)

Jiang, H.; Rinke, P.; Scheffler, M.: Electronic properties of lanthanide oxides from the GW perspective. Physical Review B 86 (12), 125115 (2012)

Ren, X.; Rinke, P.; Joas, C.; Scheffler, M.: Random-phase approximation and its applications in computational chemistry and materials science. Journal of Materials Science 47 (21), pp. 7447 - 7471 (2012)

Yan, Q.; Rinke, P.; Winkelnkemper, M.; Qteish, A.; Bimberg, D.; Scheffler, M.; Van de Walle, C. G.: Strain effects and band parameters in MgO, ZnO, and CdO. Applied Physics Letters 101 (15), 152105 (2012)

Zhang, G.-X.; Tkatchenko, A.; Paier, J.; Appel, H.; Scheffler, M.: Van der Waals Interactions in Ionic and Semiconductor Solids. Physical Review Letters 107 (24), 245501 (2011)

Marom, N.; Tkatchenko, A.; Rossi, M.; Gobre, V.; Hod, O.; Scheffler, M.; Kronik, L.: Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. Journal of Chemical Theory and Computation 7 (12), pp. 3944 - 3951 (2011)

Santra, B.; Klimes, J.; Alfè, D.; Tkatchenko, A.; Slater, B.; Michaelides, A.; Car, R.; Scheffler, M.: Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures. Physical Review Letters 107 (18), 185701 (2011)

Estreicher, S. K.; Backlund, D. J.; Carbogno, C.; Scheffler, M.: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional. Angewandte Chemie International Edition 50 (43), pp. 10221 - 10225 (2011)

Freund, H.-J.; Meijer, G.; Scheffler, M.; Schlögl, R.; Wolf, M.: Die CO-Oxidation als Modellreaktion für heterogene Prozesse. Angewandte Chemie 123 (43), pp. 10242 - 10275 (2011)