A coupled cluster and Møller-Plesset perturbation theory study of the pressure induced phase transition in the LiH crystal von Grüneis, Andreas

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Duality of Ring and Ladder Diagrams and Its Importance for Many-Electron Perturbation Theories von Irmler, Andreas, Gallo, Alejandro, Hummel, Felix, Grüneis, Andreas

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Low rank factorization of the Coulomb integrals for periodic coupled cluster theory von Hummel, Felix, Tsatsoulis, Theodoros, Grüneis, Andreas

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Focal-point approach with pair-specific cusp correction for coupled-cluster theory von Irmler, Andreas, Gallo, Alejandro, Grüneis, Andreas

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Second-order Møller-Plesset perturbation theory applied to extended systems. II. Structural and energetic properties von Grüneis, Andreas, Marsman, Martijn, Kresse, Georg

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Band alignment of semiconductors from density-functional theory and many-body perturbation theory von Hinuma, Yoyo, Grüneis, Andreas, Kresse, Georg, Oba, Fumiyasu

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Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory von Irmler, Andreas, Grüneis, Andreas

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A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides von Gallo, Alejandro, Hummel, Felix, Irmler, Andreas, Grüneis, Andreas

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Averting the Infrared Catastrophe in the Gold Standard of Quantum Chemistry von Masios, Nikolaos, Irmler, Andreas, Schäfer, Tobias, Grüneis, Andreas

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Towards an exact description of electronic wavefunctions in real solids von Booth, George H., Grüneis, Andreas, Kresse, Georg, Alavi, Ali

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Coupled Cluster Theory in Materials Science von Zhang, Igor Ying, Grüneis, Andreas

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Communication: Finite size correction in periodic coupled cluster theory calculations of solids von Liao, Ke, Grüneis, Andreas

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Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on graphitic carbon nitride von Schäfer, Tobias, Gallo, Alejandro, Irmler, Andreas, Hummel, Felix, Grüneis, Andreas

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Ionization potentials of solids: the importance of vertex corrections von Grüneis, Andreas, Kresse, Georg, Hinuma, Yoyo, Oba, Fumiyasu

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Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit von Gruber, Thomas, Liao, Ke, Tsatsoulis, Theodoros, Hummel, Felix, Grüneis, Andreas

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Ab initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coupled cluster theory von Gruber, Thomas, Grüneis, Andreas

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Efficient Explicitly Correlated Many-Electron Perturbation Theory for Solids: Application to the Schottky Defect in MgO von Gruneis, Andreas

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Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas von Masios, Nikolaos, Hummel, Felix, Grüneis, Andreas, Irmler, Andreas

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Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets von Alessio, Maristella, Paran, Garrette Pauley, Utku, Cansu, Grueneis, Andreas, Jagau, Thomas C

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Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase appro... von Göltl, Florian, Grüneis, Andreas, Bučko, Tomas, Hafner, Jürgen

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