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Gruppiert nach: Dokumententyp | Veröffentlichungsdatum
Anzahl der Publikationen: 10

Zeitschriftenartikel

Drontschenko, Viktoria; Graf, Daniel; Laqua, Henryk und Ochsenfeld, Christian (2022): Efficient Method for the Computation of Frozen-Core Nuclear Gradients within the Random Phase Approximation. In: Journal of Chemical Theory and Computation, Bd. 18, Nr. 12: S. 7359-7372

Lemke, Yannick; Graf, Daniel; Kussmann, Jörg und Ochsenfeld, Christian (2022): An assessment of orbital energy corrections for the direct random phase approximation and explicit sigma-functionals. In: Molecular Physics, Bd. 121, Nr. 9-10, e2098862

Drontschenko, Viktoria; Graf, Daniel; Laqua, Henryk und Ochsenfeld, Christian (2021): Lagrangian-Based Minimal-Overhead Batching Scheme for the Efficient Integral-Direct Evaluation of the RPA Correlation Energy. In: Journal of Chemical Theory and Computation, Bd. 17, Nr. 9: S. 5623-5634

Glasbrenner, Michael; Graf, Daniel und Ochsenfeld, Christian (2021): Benchmarking the Accuracy of the Direct Random Phase Approximation and sigma-Functionals for NMR Shieldings. In: Journal of Chemical Theory and Computation, Bd. 18, Nr. 1: S. 192-205

Glasbrenner, Michael; Graf, Daniel und Ochsenfeld, Christian (2020): Efficient Reduced-Scaling Second-Order Moller-Plesset Perturbation Theory with Cholesky-Decomposed Densities and an Attenuated Coulomb Metric. In: Journal of Chemical Theory and Computation, Bd. 16, Nr. 11: S. 6856-6868

Kreppel, Andrea; Graf, Daniel; Laqua, Henryk und Ochsenfeld, Christian (2020): Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark. In: Journal of Chemical Theory and Computation, Bd. 16, Nr. 5: S. 2985-2994

Graf, Daniel und Ochsenfeld, Christian (2020): A range-separated generalized Kohn-Sham method including a long-range nonlocal random phase approximation correlation potential. In: Journal of Chemical Physics, Bd. 153, Nr. 24, 244118

Graf, Daniel; Beuerle, Matthias und Ochsenfeld, Christian (2019): Low-Scaling Self-Consistent Minimization of a Density Matrix Based Random Phase Approximation Method in the Atomic Orbital Space. In: Journal of Chemical Theory and Computation, Bd. 15, Nr. 8: S. 4468-4477

Graf, Daniel; Beuerle, Matthias; Schurkus, Henry F.; Luenser, Arne; Savasci, Goekcen und Ochsenfeld, Christian (2018): Accurate and Efficient Parallel Implementation of an Effective Linear-Scaling Direct Random Phase Approximation Method. In: Journal of Chemical Theory and Computation, Bd. 14, Nr. 5: S. 2505-2515

Beuerle, Matthias; Graf, Daniel; Schurkus, Henry F. und Ochsenfeld, Christian (2018): Efficient calculation of beyond RPA correlation energies in the dielectric matrix formalism. In: Journal of Chemical Physics, Bd. 148, Nr. 20, 204104

Diese Liste wurde am Sat Dec 21 23:25:55 2024 CET erstellt.