| Assessing density functionals using many body theory for hybrid perovskites M Bokdam, J Lahnsteiner, B Ramberger, T Schäfer, G Kresse Physical review letters 119 (14), 145501, 2017 | 88 | 2017 |
| Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basis T Schäfer, B Ramberger, G Kresse J. Chem. Phys. 146 (10), 104101, 2017 | 67 | 2017 |
| Analytic Interatomic Forces in the Random Phase Approximation B Ramberger, T Schäfer, G Kresse Phys. Rev. Lett. 118, 106403, 2017 | 65 | 2017 |
| Local embedding of Coupled Cluster theory into the Random Phase Approximation using plane-waves T Schäfer, F Libisch, G Kresse, A Grüneis Journal of Chemical Physics 154 (1), 011101, 2020 | 43 | 2020 |
| A shortcut to the thermodynamic limit for quantum many-body calculations of metals TN Mihm, T Schäfer, SK Ramadugu, L Weiler, A Grüneis, JJ Shepherd Nature Computational Science 1 (12), 801-808, 2021 | 29 | 2021 |
| Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: the case of water on graphitic carbon nitride T Schäfer, A Gallo, A Irmler, F Hummel, A Grüneis The Journal of Chemical Physics 155, 244103, 2021 | 22 | 2021 |
| RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods B Ramberger, Z Sukurma, T Schäfer, G Kresse | 22 | 2019 |
| Cerium Oxides without U: The Role of Many-Electron Correlation T Schäfer, N Daelman, N Lopez J. Phys. Chem. Lett. 12, 6277–6283, 2021 | 18 | 2021 |
| Averting the infrared catastrophe in the gold standard of quantum chemistry N Masios, A Irmler, T Schäfer, A Grüneis Phys. Rev. Lett. 131, 186401, 2023 | 16 | 2023 |
| Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling T Schäfer, B Ramberger, G Kresse J. Chem. Phys. 148, 064103, 2018 | 16 | 2018 |
| Sampling the reciprocal Coulomb potential in finite anisotropic cells T Schäfer, WZ Van Benschoten, JJ Shepherd, A Grüneis The Journal of Chemical Physics 160 (5), 2024 | 5 | 2024 |
| Ab initio phase diagram of PbSe crystals calculated with the Random Phase Approximation T Schäfer, Z Fan, M Grünwald, G Kresse Phys. Rev. B 98, 144103, 2018 | 4 | 2018 |
| Understanding Discrepancies of Wavefunction Theories for Large Molecules T Schäfer, A Irmler, A Gallo, A Grüneis arXiv:2407.01442, 2024 | 1 | 2024 |
| Effective Hamiltonians for the study of real metals using quantum chemical theories T Mihm, T Schäfer, SK Ramadugu, A Grüneis, J Shepherd https://arxiv.org/abs/2103.06318, 2021 | 1 | 2021 |
| Dataset for" A shortcut to the thermodynamic limit for quantum many-body calculations of metals" TN Mihm, T Schäfer, SK Ramadugu, L Weiler, A Grüneis, JJ Shepherd University of Iowa, 2021 | 1 | 2021 |
| Finite-size Effects in periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit E Moerman, A Gallo, A Irmler, T Schäfer, F Hummel, A Grüneis, ... arXiv preprint arXiv:2409.03721, 2024 | | 2024 |
| Achieving Accurate Ground-States for Metals from Converged Coupled Cluster Calculations T Schäfer arXiv preprint arXiv:2408.14237, 2024 | | 2024 |
| CO adsorption on Pt (111) studied by periodic coupled cluster theory JP Carbone, A Irmler, A Gallo, T Schäfer, WZ Van Benschoten, ... Faraday Discussions, 2024 | | 2024 |
| Low-scaling algorithms for many-body exchange-like diagrams T Schäfer Faculty of Physics, University of Vienna, 2018 | | 2018 |
| Low-Scaling MP2 for Solids T Schaefer, G Kresse APS March Meeting Abstracts 2018, P18. 001, 2018 | | 2018 |
Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum Mechanics在 univie.ac.at 的电子邮件经过验证
