Andreas Grüneis
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Abbott, Joseph W., Carlos Mera Acosta +405 · 3 voices · 10 citations
Physics and Astronomy · #cond-mat.mtrl-sci #physics.chem-ph
- Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
2025/07/11 by Matthieu J. Verstraete, João Abreu, Joao Abreu +175 · 1 voice · 10 citations
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
- Understanding Discrepancies of Wavefunction Theories for Large Molecules
2024/07/01 by Tobias Schäfer, Schäfer, Tobias, Andreas Irmler +5 · 1 voice · 3 citations
Physics and Astronomy · Materials Science · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids
2025/01/30 by Evgeny Moerman, Moerman, Evgeny, Henrique Miranda +17 · 1 voice · 4 citations
Engineering · Physics and Astronomy · #Advanced Antenna and Metasurface Technologies #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
- On the duality of ring and ladder diagrams and its importance for many-electron perturbation theories
2019/03/14 by Andreas Irmler, Felix Hummel, Andreas Grüneis · 2 citations
Physics and Astronomy · #cond-mat.mtrl-sci #physics.chem-ph
- Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions
2013/07/24 by Andreas Grüneis, James J. Shepherd, Ali Alavi +2 · 2 citations
Chemistry · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Basis (linear algebra) #Basis set #Chemistry #Convergence (economics) #Coulomb #Delocalized electron #Density functional theory #Electron #Electronic correlation #Geminal #Geometry #Mathematical physics #Mathematics #Perturbation theory (quantum mechanics) #Physics #Physics of Superconductivity and Magnetism #Plane wave #Quantum electrodynamics #Quantum mechanics #Spectroscopy and Quantum Chemical Studies #Statistical physics #Wave function #Yukawa potential #cond-mat.quant-gas #cond-mat.str-el #physics.chem-ph #physics.comp-ph
- Coupled cluster theory in materials science
2020/04/14 by Igor Ying Zhang, Andreas Grüneis · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci #physics.chem-ph
- Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit
2020/04/14 by Thomas Gruber, Ke Liao, Theodoros Tsatsoulis +2 · 1 citation
Physics and Astronomy · #cond-mat.mtrl-sci #physics.comp-ph
- From plane waves to local Gaussians for the simulation of correlated periodic systems
2016/03/31 by George H. Booth, Theodoros Tsatsoulis, Garnet Kin-Lic Chan +1 · 1 citation
Physics and Astronomy · #cond-mat.str-el #physics.chem-ph #physics.comp-ph
- Connection between GW and Extended Coupled Cluster
2026/02/11 by Johannes Tölle, Marios-Petros Kitsaras, Andreas Irmler +2 · 1 voice · 2 citations
Physics and Astronomy · #physics.chem-ph