Publications of Patrick Rinke

Sinai, O., O.T. Hofmann, P. Rinke, M. Scheffler, G. Heimel and L. Kronik: Multiscale approach to the electronic structure of doped semiconductor surfaces. Physical Review B 91 (7), 075311 (2015).

van Setten, M.J., F. Caruso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin, J.R. Deslippe, S.G. Louie, C. Yang, F. Weigend, J.B. Neaton, F. Evers and P. Rinke: GW100: Benchmarking G₀W₀ for Molecular Systems. Journal of Chemical Theory and Computation 11 (12), 5665–5687 (2015).

Caruso, F., V. Atalla, X. Ren, A. Rubio, M. Scheffler and P. Rinke: First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory. Physical Review B 90 (8), 085141 (2014).

Verdenhalven, E., A. Knorr, M. Richter, B. Bieniek and P. Rinke: Theory of optical excitations in dipole-coupled hybrid molecule-semiconductor layers: Coupling of a molecular resonance to semiconductor continuum states. Physical Review B 89 (23), 235314 (2014).

Yan, Q., P. Rinke, A. Janotti, M. Scheffler and C.G. Van de Walle: Effects of strain on the band structure of group-III nitrides. Physical Review B 90 (12), 125118 (2014).

Caruso, F., P. Rinke, X. Ren, A. Rubio and M. Scheffler: Self-consistent GW: an all-electron implementation with localized basis functions. Physical Review B 88 (7), 075105 (2013).

Caruso, F., D. Rohr, M. Hellgren, X. Ren, P. Rinke, A. Rubio and M. Scheffler: Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory. Physical Review Letters 110 (14), 146403 (2013).

Hofmann, O.T., V. Atalla, N. Moll, P. Rinke and M. Scheffler: Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory. New Journal of Physics 15 (12), 123028 (2013).

Hofmann, O.T., J.-C. Deinert, Y. Xu, P. Rinke, J. Stähler, M. Wolf and M. Scheffler: Large work function reduction by adsorption of a molecule with a negative electron affinity: Pyridine on ZnO(10¯10). The Journal of Chemical Physics 139 (17), 174701 (2013).

Moll, N., Y. Xu, O.T. Hofmann and P. Rinke: Stabilization of semiconductor surfaces through bulk dopants. New Journal of Physics 15 (8), 083009 (2013).

Nemec, L., V. Blum, P. Rinke and M. Scheffler: Thermodynamic equilibrium conditions of graphene films on SiC. Physical Review Letters 111 (6), 065502 (2013).

Ren, X., P. Rinke, G.E. Scuseria and M. Scheffler: Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks. Physical Review B 88 (3), 035120 (2013).

Schleife, A., P. Rinke, F. Bechstedt and C.G. Van de Walle: Enhanced Optical Absorption Due to Symmetry Breaking in TiO_2(1−x)S_2x Alloys. The Journal of Physical Chemistry C 117 (8), 4189–4193 (2013).

Schlesinger, R., Y. Xu, O.T. Hofmann, S. Winkler, J. Frisch, J. Niederhausen, A. Vollmer, S. Blumstengel, F. Henneberger, P. Rinke, M. Scheffler and N. Koch: Controlling the work function of ZnO and the energy-level alignment at the interface to organic semiconductors with a molecular electron acceptor. Physical Review B 87 (15), 155311 (2013).

Stähler, J., O.T. Hofmann, P. Rinke, S. Blumstengel, F. Henneberger, Y. Li and T.F. Heinz: Raman study of 2,7-bis(biphenyl-4-yl-)2',7'-ditertbutyl-9,9'-spirobifluorene adsorbed on oxide surfaces. Chemical Physics Letters 584, 74–78 (2013).

Xu, Y., O.T. Hofmann, R. Schlesinger, S. Winkler, J. Frisch, J. Niederhausen, A. Vollmer, S. Blumstengel, F. Henneberger, N. Koch, P. Rinke and M. Scheffler: Space-Charge Transfer in Hybrid Inorganic-Organic Systems. Physical Review Letters 111 (22), 226802 (2013).

Zhang, I.Y., X. Ren, P. Rinke, V. Blum and M. Scheffler: Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar. New Journal of Physics 15 (12), 123033 (2013).

Caruso, F., 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).

Casadei, M., 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).

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