Andreas Grüneis
Andreas Grüneis
Verified email at tuwien.ac.at - Homepage
TitleCited byYear
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
4012010
Towards an exact description of electronic wavefunctions in real solids
GH Booth, A Grüneis, G Kresse, A Alavi
Nature 493 (7432), 365-370, 2013
3582013
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
1962009
Structural and electronic properties of lead chalcogenides from first principles
K Hummer, A Grüneis, G Kresse
Physical Review B 75 (19), 195211, 2007
1812007
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
1732009
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
1482014
Ionization potentials of solids: The importance of vertex corrections
A Grüneis, G Kresse, Y Hinuma, F Oba
Physical Review Letters 112 (9), 096401, 2014
1332014
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
1252010
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
1232010
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
1172012
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
1012012
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
972012
Full configuration interaction perspective on the homogeneous electron gas
JJ Shepherd, G Booth, A Grüneis, A Alavi
Physical Review B 85 (8), 081103, 2012
922012
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
752011
Many-Body Quantum Chemistry for the Electron Gas: Convergent Perturbative Theories
JJ Shepherd, A Grüneis
Physical Review Letters 110 (22), 226401, 2013
522013
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
512007
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
442013
Efficient Explicitly Correlated Many-Electron Perturbation Theory for Solids: Application to the Schottky Defect in MgO
A Grüneis
Physical Review Letters 115 (6), 066402, 2015
382015
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
312017
From plane waves to local Gaussians for the simulation of correlated periodic systems
GH Booth, T Tsatsoulis, GKL Chan, A Grüneis
The Journal of Chemical Physics 145 (8), 084111, 2016
312016
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Articles 1–20