![[höher]](/style/images/multi_up.png)
Eine Ebene höherGruppiert nach: Dokumententyp |
Veröffentlichungsdatum
Anzahl der Publikationen: 6
2021
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
Vogler, Sigurd; Dietschreit, Johannes C. B.; Peters, Laurens D. M. und Ochsenfeld, Christian
(2020):
Important components for accurate hyperfine coupling constants: electron correlation, dynamic contributions, and solvation effects.
In: Molecular Physics, Bd. 118, e1772515
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
Vogler, Sigurd; Savasci, Goekcen; Ludwig, Martin und Ochsenfeld, Christian
(2018):
Selected-Nuclei Method for the Computation of Hyperfine Coupling Constants within Second-Order Moller-Plesset Perturbation Theory.
In: Journal of Chemical Theory and Computation, Bd. 14, Nr. 6: S. 3014-3024
2017
Vogler, Sigurd; Ludwig, Martin; Maurer, Marina und Ochsenfeld, Christian
(2017):
Low-scaling first-order properties within second-order Moller-Plesset perturbation theory using Cholesky decomposed density matrices.
In: Journal of Chemical Physics, Bd. 147, Nr. 2, 24101