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Eine Ebene höherGruppiert nach: Dokumententyp |
Veröffentlichungsdatum
Anzahl der Publikationen: 8
2022
Bangerter, Felix H.; Glasbrenner, Michael und Ochsenfeld, Christian
(2022):
Tensor-Hypercontracted MP2 First Derivatives: Runtime and Memory Efficient Computation of Hyperfine Coupling Constants.
In: Journal of Chemical Theory and Computation, Bd. 18, Nr. 9: S. 5233-5245
2021
Bangerter, Felix H.; Glasbrenner, Michael und Ochsenfeld, Christian
(2021):
Low-Scaling Tensor Hypercontraction in the Cholesky Molecular Orbital Basis Applied to Second-Order Moller-Plesset Perturbation Theory.
In: Journal of Chemical Theory and Computation, Bd. 17, Nr. 1: S. 211-221
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; Vogler, Sigurd und Ochsenfeld, Christian
(2021):
Efficient low-scaling computation of NMR shieldings at the second-order Moller-Plesset perturbation theory level with Cholesky-decomposed densities and an attenuated Coulomb metric.
In: Journal of Chemical Physics, Bd. 155, Nr. 22, 224107
2020
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
2019
Glasbrenner, Michael; Vogler, Sigurd und Ochsenfeld, Christian
(2019):
Linear and sublinear scaling computation of the electronic g-tensor at the density functional theory level.
In: Journal of Chemical Physics, Bd. 150, Nr. 2, 024104
2018
Glasbrenner, Michael; Vogler, Sigurd und Ochsenfeld, Christian
(2018):
Gauge-origin dependence in electronic g-tensor calculations.
In: Journal of Chemical Physics, Bd. 148, Nr. 21, 214101
2017
Yamashita, Yui; Takamatsu, Seidai; Glasbrenner, Michael; Becker, Thomas; Naito, Satoshi und Beckmann, Roland
(2017):
Sucrose sensing through nascent peptide-meditated ribosome stalling at the stop codon of Arabidopsis bZIP11 uORF2.
In: Febs Letters, Bd. 591, Nr. 9: S. 1266-1277