Segui
Tobias Schäfer
Titolo
Citata da
Citata da
Anno
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
882017
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
702017
Analytic Interatomic Forces in the Random Phase Approximation
B Ramberger, T Schäfer, G Kresse
Phys. Rev. Lett. 118, 106403, 2017
652017
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
442020
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
302021
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
232021
RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods
B Ramberger, Z Sukurma, T Schäfer, G Kresse
222019
Cerium Oxides without U: The Role of Many-Electron Correlation
T Schäfer, N Daelman, N Lopez
J. Phys. Chem. Lett. 12, 6277–6283, 2021
202021
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
172023
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
162018
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
52024
Understanding Discrepancies of Wavefunction Theories for Large Molecules
T Schäfer, A Irmler, A Gallo, A Grüneis
arXiv:2407.01442, 2024
42024
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
42018
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
12024
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
12021
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
12021
Exploring Intrinsic Bond Orbitals in Solids
B Wöckinger, A Runpf, T Schäfer
arXiv:2409.18212, 2024
2024
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
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20