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The Journal of Physical Chemistry. A|January 9, 2025
Top-Down versus Bottom-Up Approaches for σ-Functionals Based on the Approximate Exchange KernelYannick Lemke, Christian OchsenfeldThe Journal of Chemical Physics|November 15, 2023
Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernelsYannick Lemke, Christian OchsenfeldJournal of Chemical Theory and Computation|November 19, 2015
Preselective Screening for Linear-Scaling Exact Exchange-Gradient Calculations for Graphics Processing Units and General Strong-Scaling Massively Parallel CalculationsJörg Kussmann, Christian OchsenfeldAngewandte Chemie (International Ed. in English)|December 17, 2016
Reinhart Ahlrichs (1940-2016)Jürgen Gauss, Christian OchsenfeldThe Journal of Chemical Physics|August 11, 2007
Linear-scaling method for calculating nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals within Hartree-Fock and density-functional theoryJörg Kussmann, Christian OchsenfeldJournal of Chemical Theory and Computation|December 11, 2023
Improved Sampling of Adaptive Path Collective Variables by Stabilized Extended-System DynamicsAndreas Hulm, Christian OchsenfeldJournal of the American Chemical Society|July 31, 2015
Unraveling the Base Excision Repair Mechanism of Human DNA GlycosylaseKeyarash Sadeghian, Christian OchsenfeldThe Journal of Chemical Physics|December 3, 2017
Short-range second order screened exchange correction to RPA correlation energiesMatthias Beuerle, Christian OchsenfeldJournal of Chemical Theory and Computation|February 15, 2017
Influence of Coupling and Embedding Schemes on QM Size Convergence in QM/MM Approaches for the Example of a Proton Transfer in DNASven Roßbach, Christian OchsenfeldThe Journal of Chemical Physics|December 7, 2007
A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levelsJörg Kussmann, Christian OchsenfeldPageof 27