| Accurate surface and adsorption energies from many-body perturbation theory L Schimka, J Harl, A Stroppa, A Grüneis, M Marsman, F Mittendorfer, ... Nature Materials 9 (9), 741, 2010 | 465 | 2010 |
| Towards an exact description of electronic wavefunctions in real solids GH Booth, A Grüneis, G Kresse, A Alavi Nature 493 (7432), 365-370, 2013 | 440 | 2013 |
| Making the random phase approximation to electronic correlation accurate A Grüneis, M Marsman, J Harl, L Schimka, G Kresse The Journal of chemical physics 131 (15), 154115, 2009 | 230 | 2009 |
| Structural and electronic properties of lead chalcogenides from first principles K Hummer, A Grüneis, G Kresse Physical Review B 75 (19), 195211, 2007 | 212 | 2007 |
| Band alignment of semiconductors from density-functional theory and many-body perturbation theory Y Hinuma, A Grüneis, G Kresse, F Oba Physical Review B 90 (15), 155405, 2014 | 201 | 2014 |
| Second-order Mřller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set M Marsman, A Grüneis, J Paier, G Kresse The Journal of chemical physics 130 (18), 184103, 2009 | 199 | 2009 |
| Ionization potentials of solids: The importance of vertex corrections A Grüneis, G Kresse, Y Hinuma, F Oba Physical Review Letters 112 (9), 096401, 2014 | 159 | 2014 |
| Hybrid functionals including random phase approximation correlation and second-order screened exchange J Paier, BG Janesko, TM Henderson, GE Scuseria, A Grüneis, G Kresse The Journal of chemical physics 132 (9), 094103, 2010 | 148 | 2010 |
| Second-order Mřller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties A Grüneis, M Marsman, G Kresse The Journal of chemical physics 133 (7), 074107, 2010 | 142 | 2010 |
| Assessment of correlation energies based on the random-phase approximation J Paier, X Ren, P Rinke, GE Scuseria, A Grüneis, G Kresse, M Scheffler New Journal of Physics 14 (4), 043002, 2012 | 132 | 2012 |
| Van der Waals interactions between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase … F Göltl, A Grüneis, T Bučko, J Hafner The Journal of chemical physics 137 (11), 114111, 2012 | 119 | 2012 |
| Full configuration interaction perspective on the homogeneous electron gas JJ Shepherd, G Booth, A Grüneis, A Alavi Physical Review B 85 (8), 081103, 2012 | 116 | 2012 |
| Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems JJ Shepherd, A Grüneis, GH Booth, G Kresse, A Alavi Physical Review B 86 (3), 035111, 2012 | 112 | 2012 |
| Natural orbitals for wave function based correlated calculations using a plane wave basis set A Grüneis, GH Booth, M Marsman, J Spencer, A Alavi, G Kresse Journal of Chemical Theory and Computation 7 (9), 2780-2785, 2011 | 98 | 2011 |
| Many-Body Quantum Chemistry for the Electron Gas: Convergent Perturbative Theories JJ Shepherd, A Grüneis Physical Review Letters 110 (22), 226401, 2013 | 64 | 2013 |
| Applying the coupled-cluster ansatz to solids and surfaces in the thermodynamic limit T Gruber, K Liao, T Tsatsoulis, F Hummel, A Grüneis Physical Review X 8 (2), 021043, 2018 | 57 | 2018 |
| Protecting a diamond quantum memory by charge state control M Pfender, N Aslam, P Simon, D Antonov, G Thiering, S Burk, ... Nano letters 17 (10), 5931-5937, 2017 | 57 | 2017 |
| Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions A Grüneis, JJ Shepherd, A Alavi, DP Tew, GH Booth The Journal of chemical physics 139 (8), 084112, 2013 | 57 | 2013 |
| Detecting individual electrons using a carbon nanotube field-effect transistor A Gruneis, MJ Esplandiu, D Garcia-Sanchez, A Bachtold Nano Letters 7 (12), 3766-3769, 2007 | 53 | 2007 |
| Low rank factorization of the Coulomb integrals for periodic coupled cluster theory F Hummel, T Tsatsoulis, A Grüneis The Journal of Chemical Physics 146 (12), 124105, 2017 | 48 | 2017 |
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsVerified email at univie.ac.at
