Gallandi, Lukas;Marom, Noa;Rinke, Patrick;Körzdörfer, Thomas
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals
Journal of Chemical Theory and Computation 2016-01
2016
12
2
605-614

Knight, Joseph W.;Wang, Xiaopeng;Gallandi, Lukas;Dolgounitcheva, Olga;Ren, Xinguo;Ortiz, J. Vincent;Rinke, Patrick;Körzdörfer, Thomas;Marom, Noa
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods
Journal of Chemical Theory and Computation 2016-01
2016
12
2
615-626

Casadei, Marco;Ren, Xinguo;Rinke, Patrick;Rubio, Angel;Scheffler, Matthias
Density functional theory study of theα−γphase transition in cerium: Role of electron correlation andf-orbital localization
Physical Review B 2016-02
2016
93
7

Dauth, Matthias;Caruso, Fabio;Kümmel, Stephan;Rinke, Patrick
Piecewise linearity in theGWapproximation for accurate quasiparticle energy predictions
Physical Review B 2016-03
2016
93
12

Chibani, Wael;Ren, Xinguo;Scheffler, Matthias;Rinke, Patrick
Self-consistent Green's function embedding for advanced electronic structure methods based on a dynamical mean-field concept
Physical Review B 2016-04
2016
93
16

Li, Jingrui;Rinke, Patrick
Atomic structure of metal-halide perovskites from first principles: The chicken-and-egg paradox of the organic-inorganic interaction
Physical Review B 2016-07
2016
94
4

Zhang, Igor Ying;Rinke, Patrick;Scheffler, Matthias
Wave-function inspired density functional applied to the H₂/${{\rm{H}}}_{2}^{+}$ challenge
New Journal of Physics 2016-07
2016
18
7
073026

Atalla, Viktor;Zhang, Igor Ying;Hofmann, Oliver T.;Ren, Xinguo;Rinke, Patrick;Scheffler, Matthias
Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation
Physical Review B 2016-07
2016
94
3

Zhang, Igor Ying;Rinke, Patrick;Perdew, John P.;Scheffler, Matthias
Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation
Physical Review Letters 2016-09
2016
117
13

Caruso, Fabio;Dauth, Matthias;van Setten, Michiel J.;Rinke, Patrick
Benchmark of GW Approaches for the GW100 Test Set
Journal of Chemical Theory and Computation 2016-09
2016
12
10
5076-5087