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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 OchsenfeldCommunications Chemistry|April 22, 2026
A detailed comparison of ΔSCF methods with the constraint-based orbital-optimized excited state methodYannick Lemke, Jörg Kussmann, Christian OchsenfeldPhysical Chemistry Chemical Physics : PCCP|May 29, 2025
An embedding scheme for constraint-based orbital-optimized excitations in molecular and bulk environmentsYannick Lemke, Jörg Kussmann, 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 OchsenfeldJournal of Chemical Theory and Computation|September 30, 2024
A Constraint-Based Orbital-Optimized Excited State Method (COOX)Jörg Kussmann, Yannick Lemke, Anthea Weinbrenner, et al.Journal of Chemical Theory and Computation|November 18, 2015
Spin component-scaled second-order Møller-Plesset perturbation theory for calculating NMR shieldingsMarina Maurer, Christian OchsenfeldJournal of Chemical Theory and Computation|March 9, 2017
Quantum-Chemical Study of the Discrimination against dNTP in the Nucleotide Addition Reaction in the Active Site of RNA Polymerase IISven Roßbach, Christian OchsenfeldJournal of Chemical Theory and Computation|December 28, 2020
The Enzymatic Decarboxylation Mechanism of 5-Carboxy Uracil: A Comprehensive Quantum Chemical StudyAndrea Kreppel, Christian OchsenfeldPageof 18