Patrick Rinke
Citeret af
Citeret af
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions
X Ren, P Rinke, V Blum, J Wieferink, A Tkatchenko, A Sanfilippo, K Reuter, ...
New Journal of Physics 14 (5), 053020, 2012
Hybrid functional studies of the oxygen vacancy in
A Janotti, JB Varley, P Rinke, N Umezawa, G Kresse, CG Van de Walle
Physical Review B 81 (8), 085212, 2010
Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes
E Kioupakis, P Rinke, KT Delaney, CG Van de Walle
Applied Physics Letters 98 (16), 161107, 2011
Random-phase approximation and its applications in computational chemistry and materials science
X Ren, P Rinke, C Joas, M Scheffler
Journal of Materials Science 47, 7447-7471, 2012
Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN
P Rinke, M Winkelnkemper, A Qteish, D Bimberg, J Neugebauer, ...
Physical Review B 77 (7), 075202, 2008
Auger recombination rates in nitrides from first principles
KT Delaney, P Rinke, CG Van de Walle
Applied Physics Letters 94 (19), 191109, 2009
DScribe: Library of descriptors for machine learning in materials science
L Himanen, MOJ Jäger, EV Morooka, FF Canova, YS Ranawat, DZ Gao, ...
Computer Physics Communications 247, 106949, 2020
Data‐driven materials science: status, challenges, and perspectives
L Himanen, A Geurts, AS Foster, P Rinke
Advanced Science 6 (21), 1900808, 2019
Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors
P Rinke, A Qteish, J Neugebauer, C Freysoldt, M Scheffler
New Journal of physics 7 (1), 126, 2005
GW100: Benchmarking G0W0 for Molecular Systems
MJ van Setten, F Caruso, S Sharifzadeh, X Ren, M Scheffler, F Liu, ...
Journal of chemical theory and computation 11 (12), 5665-5687, 2015
First-principles modeling of localized d states with the G W@ LDA+ U approach
H Jiang, RI Gomez-Abal, P Rinke, M Scheffler
Physical Review B 82 (4), 045108, 2010
The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
D Golze, M Dvorak, P Rinke
Frontiers in chemistry 7, 377, 2019
Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and the G W Approach for the Silicon Self-Interstitial
P Rinke, A Janotti, M Scheffler, CG Van de Walle
Physical review letters 102 (2), 026402, 2009
Electronic band structure of zirconia and hafnia polymorphs from the G W perspective
H Jiang, RI Gomez-Abal, P Rinke, M Scheffler
Physical Review B 81 (8), 085119, 2010
Beyond the random-phase approximation for the electron correlation energy: The importance of single excitations
X Ren, A Tkatchenko, P Rinke, M Scheffler
Physical review letters 106 (15), 153003, 2011
Localized and Itinerant States in Lanthanide Oxides United by G W@ LDA+ U
H Jiang, RI Gomez-Abal, P Rinke, M Scheffler
Physical review letters 102 (12), 126403, 2009
Unified description of ground and excited states of finite systems: The self-consistent G W approach
F Caruso, P Rinke, X Ren, M Scheffler, A Rubio
Physical Review B 86 (8), 081102, 2012
Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory
P Rinke, M Scheffler, A Qteish, M Winkelnkemper, D Bimberg, ...
Applied physics letters 89 (16), 161919-161919-3, 2006
Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN
Q Yan, P Rinke, M Scheffler, CG Van de Walle
Applied Physics Letters 95 (12), 121111, 2009
Benchmark of G W methods for azabenzenes
N Marom, F Caruso, X Ren, OT Hofmann, T Körzdörfer, JR Chelikowsky, ...
Physical Review B 86 (24), 245127, 2012
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