Publikationen von Patrick Rinke

Sinai, O., O.T. Hofmann, P. Rinke, M. Scheffler, G. Heimel und 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 und 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 und 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 und 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 und 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 und 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 und 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 und 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 und 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 und P. Rinke: Stabilization of semiconductor surfaces through bulk dopants. New Journal of Physics 15 (8), 083009 (2013).

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

Ren, X., P. Rinke, G.E. Scuseria und 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 und 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 und 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 und 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 und 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 und 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 und 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 und 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 und M. Scheffler: Electronic properties of lanthanide oxides from the GW perspective. Physical Review B 86 (12), 125115 (2012).