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The last 5 uploaded publications
Accurate surface and adsorption energies from many-body perturbation theory
Laurids Schimka, Judith Harl, Alessandro Stroppa, Andreas Grüneis, Martijn Marsman, Florian Mittendorfer, Kresse Georg (2010). Accurate surface and adsorption energies from many-body perturbation theory. Nature Materials, 9(9), pp. 741-744, DOI: 10.1038/nmat2806.
Letter289 days agoBand alignment of semiconductors from density-functional theory and many-body perturbation theory
Yoyo Hinuma, Andreas Grüneis, Kresse Georg, Fumiyasu Oba (2014). Band alignment of semiconductors from density-functional theory and many-body perturbation theory. Physical Review B, 90(15), DOI: 10.1103/physrevb.90.155405.
Article289 days agoIonization Potentials of Solids: The Importance of Vertex Corrections
Andreas Grüneis, Kresse Georg, Yoyo Hinuma, Fumiyasu Oba (2014). Ionization Potentials of Solids: The Importance of Vertex Corrections. Physical Review Letters, 112(9), DOI: 10.1103/physrevlett.112.096401.
Article289 days agoPhysisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods
Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner, Benjamin Ramberger, Kresse Georg, Theodoros Tsatsoulis, Andreas Grüneis, Angelos Michaelides, Dario Alfè (2019). Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods. The Journal of Physical Chemistry Letters, 10(3), pp. 358-368, DOI: 10.1021/acs.jpclett.8b03679.
Article289 days agoLocal embedding of coupled cluster theory into the random phase approximation using plane waves
Tobias Schäfer, Florian Libisch, Kresse Georg, Andreas Grüneis (2021). Local embedding of coupled cluster theory into the random phase approximation using plane waves. The Journal of Chemical Physics, 154(1), DOI: 10.1063/5.0036363.
Article281 days ago