Publications of Patrick Rinke
All genres
Journal Article (71)
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
, 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
P. Rinke, , , , , , M. Scheffler and : First-Principles Optical Spectra for F Centers in MgO. Physical Review Letters 108 (12), 126404 (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
, 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
X. Ren, A. Tkatchenko, P. Rinke and M. Scheffler: Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations. Physical review letters 106, 153003 (2011).
Journal Article
, P. Rinke, M. Winkelnkemper, A. Qteish, , M. Scheffler and : Band parameters and strain effects in ZnO and group-III nitrides. Semiconductor Science and Technology 26, 014037 (2011).
2010
Journal Article
P. Havu, V. Blum, V. Havu, P. Rinke and M. Scheffler: Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory. Physical Review B, in press.
Journal Article
, R.I. Gomez-Abal, P. Rinke and M. Scheffler: First-principles modeling of localized d states with the GW@LDA+U approach. Physical Review B 82 (4), 045108 (2010).
Journal Article
H. Jiang, R.I. Gomez-Abal, P. Rinke and M. Scheffler: Electronic band structure of zirconia and hafnia polymorphs from the GW perspective. Physical Review B 81 (8), 085119–1-085119–9 (2010).
Journal Article
, P. Rinke, M. Scheffler and : Role of strain in polarization switching in semipolar InGaN/GaN quantum wells. Applied Physics Letters 97, 181102 (2010).
2009
Journal Article
C. Freysoldt, P. Rinke and M. Scheffler: Controlling polarization at insulating surfaces: Quasiparticle calculations for molecules adsorbed on insulator films. Physical Review Letters 103 (5), 056803–1-056803–4 (2009).
Journal Article
X. Ren, P. Rinke and M. Scheffler: Exploring the random phase approximation: Application to CO adsorbed on Cu(111). Physical Review B 80 (4), 045402 (2009).
Journal Article
H. Jiang, R.I. Gómez-Abal, P. Rinke and M. Scheffler: Localized and itinerant states in lanthanide oxides united by GW @ LDA + U. Physical Review Letters 102 (12), 126403 (2009).
Journal Article
P. Rinke, , M. Scheffler and : 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).
2008
Journal Article
C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr and M. Scheffler: Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach. Physical Review B 77 (23), 235428 (2008).
Journal Article
P. Rinke, M. Winkelnkemper, , , and M. Scheffler: Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN. Physical Review B 77 (7), 075202 (2008).
Journal Article
P. Rinke, A. Qteish, and M. Scheffler: Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations. Physica Status Solidi B 245 (5), 929–945 (2008).