Publications of Patrick Rinke

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)

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)

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)

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)

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)

Ren, X.; Tkatchenko, A.; Rinke, P.; Scheffler, M.: Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations. Physical review letters 106, 153003 (2011)

Yan, Q.; Rinke, P.; Winkelnkemper, M.; Qteish, A.; Bimberg, D.; Scheffler, M.; Van de Walle, C. G.: Band parameters and strain effects in ZnO and group-III nitrides. Semiconductor Science and Technology 26, 014037 (2011)

Havu, P.; Blum, V.; Havu, V.; Rinke, P.; Scheffler, M.: Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory. Physical Review B 82 (161418(R)) (2010)

Jiang, H.; Gomez-Abal, R. I.; Rinke, P.; Scheffler, M.: First-principles modeling of localized d states with the GW@LDA+U approach. Physical Review B 82 (4), 045108 (2010)

Jiang, H.; Gomez-Abal, R. I.; Rinke, P.; Scheffler, M.: Electronic band structure of zirconia and hafnia polymorphs from the GW perspective. Physical Review B 81 (8), pp. 085119-1 - 085119-9 (2010)

Yan, Q.; Rinke, P.; Scheffler, M.; Van de Walle, C. G.: Role of strain in polarization switching in semipolar InGaN/GaN quantum wells. Applied Physics Letters 97, 181102 (2010)

Freysoldt, C.; Rinke, P.; Scheffler, M.: Controlling polarization at insulating surfaces: Quasiparticle calculations for molecules adsorbed on insulator films. Physical Review Letters 103 (5), pp. 056803-1 - 056803-4 (2009)

Ren, X.; Rinke, P.; Scheffler, M.: Exploring the random phase approximation: Application to CO adsorbed on Cu(111). Physical Review B 80 (4), 045402 (2009)

Jiang, H.; Gómez-Abal, R. I.; Rinke, P.; Scheffler, M.: Localized and itinerant states in lanthanide oxides united by GW @ LDA + U. Physical Review Letters 102 (12), 126403 (2009)

Rinke, P.; Janotti, A.; Scheffler, M.; Van de Walle, C. G.: Defect formation energies without the band-gap problem: Combining density-functional theory and the GW approach for the silicon self-interstitial. Physical Review Letters 102 (2), 026402 (2009)

Freysoldt, C.; Eggert, P.; Rinke, P.; Schindlmayr, A.; Scheffler, M.: Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach. Physical Review B 77 (23), 235428 (2008)

Rinke, P.; Winkelnkemper, M.; Qteish, A.; Bimberg, D.; Neugebauer, J.; Scheffler, M.: Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN. Physical Review B 77 (7), 075202 (2008)

Rinke, P.; Qteish, A.; Neugebauer, J.; Scheffler, M.: Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations. Physica Status Solidi B 245 (5), pp. 929 - 945 (2008)