Articoli con mandati relativi all'accesso pubblico - Andreas GrüneisUlteriori informazioni
Non disponibili pubblicamente: 9
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), 741-744, 2010
Mandati: Austrian Science Fund
Towards an exact description of electronic wavefunctions in real solids
GH Booth, A Grüneis, G Kresse, A Alavi
Nature 493 (7432), 365-370, 2013
Mandati: Austrian Science Fund
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
Mandati: Austrian Science Fund
Second-order Møller–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
Mandati: Austrian Science Fund
Second-order Møller–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
Mandati: Austrian Science Fund
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
Mandati: Austrian Science Fund
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
Mandati: Austrian Science Fund
Nonlinear behavior of the band gap of Pb 1− x Eu x Se (0≤ x≤ 1) from first principles
A Grüneis, K Hummer, M Marsman, G Kresse
Physical Review B 78 (16), 165103, 2008
Mandati: Austrian Science Fund
Coupled cluster and quantum chemistry schemes for solids
A Grüneis
Handbook of Materials Modeling: Methods: Theory and Modeling, 453-468, 2020
Mandati: European Commission
Disponibili pubblicamente: 42
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
Mandati: Austrian Science Fund
Ionization potentials of solids: The importance of vertex corrections
A Grüneis, G Kresse, Y Hinuma, F Oba
Physical Review Letters 112 (9), 096401, 2014
Mandati: Austrian Science Fund
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
Mandati: Austrian Science Fund
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
Mandati: Austrian Science Fund
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
Mandati: Austrian Science Fund
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
Mandati: European Commission
Coupled cluster theory in materials science
IY Zhang, A Grüneis
Frontiers in Materials 6, 123, 2019
Mandati: European Commission
Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods
JG Brandenburg, A Zen, M Fitzner, B Ramberger, G Kresse, T Tsatsoulis, ...
The journal of physical chemistry letters 10 (3), 358-368, 2019
Mandati: US Department of Energy, US Department of Defense, UK Engineering and …
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
Mandati: Australian Research Council, German Research Foundation, Volkswagen …
Many-Body Quantum Chemistry for the Electron Gas: Convergent Perturbative Theories
JJ Shepherd, A Grüneis
Physical Review Letters 110 (22), 226401, 2013
Mandati: UK Engineering and Physical Sciences Research Council
Surface floating 2D bands in layered nonsymmorphic semimetals: ZrSiS and related compounds
A Topp, R Queiroz, A Grüneis, L Müchler, AW Rost, A Varykhalov, ...
Physical Review X 7 (4), 041073, 2017
Mandati: US National Science Foundation, US Department of Energy, German Research …
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