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Journal of Chemical Theory and Computation|July 19, 2019
QM/MM Study of the Uracil DNA Glycosylase Reaction Mechanism: A Competition between Asp145 and His148Eli Naydenova, Sven Roßbach, Christian OchsenfeldThe Journal of Chemical Physics|December 16, 2021
Efficient low-scaling computation of NMR shieldings at the second-order Møller-Plesset perturbation theory level with Cholesky-decomposed densities and an attenuated Coulomb metricMichael Glasbrenner, Sigurd Vogler, Christian OchsenfeldJournal of Chemical Theory and Computation|February 22, 2021
Highly Efficient Resolution-of-Identity Density Functional Theory Calculations on Central and Graphics Processing UnitsJörg Kussmann, Henryk Laqua, Christian OchsenfeldThe Journal of Chemical Physics|April 25, 2008
An atomic orbital-based reformulation of energy gradients in second-order Møller-Plesset perturbation theorySabine Schweizer, Bernd Doser, Christian OchsenfeldThe Journal of Chemical Physics|December 4, 2018
An improved molecular partitioning scheme for numerical quadratures in density functional theoryHenryk Laqua, Jörg Kussmann, Christian OchsenfeldThe Journal of Chemical Physics|October 27, 2016
Computation of indirect nuclear spin-spin couplings with reduced complexity in pure and hybrid density functional approximationsArne Luenser, Jörg Kussmann, Christian OchsenfeldThe Journal of Chemical Physics|June 10, 2018
Gauge-origin dependence in electronic g-tensor calculationsMichael Glasbrenner, Sigurd Vogler, Christian OchsenfeldJournal of Chemical Theory and Computation|October 8, 2025
Nonorthogonal Configuration Interaction of Constraint-Based Orbital-Optimized Excited States: A Versatile Method for Theoretical PhotochemistryYannick Lemke, Jörg Kussmann, Christian OchsenfeldThe Journal of Physical Chemistry. A|November 4, 2024
Highly Accurate and Robust Constraint-Based Orbital-Optimized Core ExcitationsYannick Lemke, Jörg Kussmann, Christian OchsenfeldThe Journal of Chemical Physics|June 10, 2017
Communication: Almost error-free resolution-of-the-identity correlation methods by null space removal of the particle-hole interactionsHenry F Schurkus, Arne Luenser, Christian OchsenfeldPageof 27