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Journal of Chemical Theory and Computation|August 25, 2021
Lagrangian-Based Minimal-Overhead Batching Scheme for the Efficient Integral-Direct Evaluation of the RPA Correlation EnergyViktoria Drontschenko, Daniel Graf, Henryk Laqua, et al.Journal of Chemical Theory and Computation|November 4, 2022
Efficient Method for the Computation of Frozen-Core Nuclear Gradients within the Random Phase ApproximationViktoria Drontschenko, Daniel Graf, Henryk Laqua, et al.Pure and Applied Chemistry. Chimie Pure Et Appliquee|November 27, 2025
Quantum chemistry - from the first steps to linear-scaling electronic structure methodsDaniel Graf, Viktoria Drontschenko, Alexandra Stan-Bernhardt, et al.The Journal of Physical Chemistry. A|April 23, 2026
A Benchmark and Basis-Set Extrapolation Study of Hyperfine Coupling Constants from the Random Phase Approximation and σ-FunctionalsDaniel Graf, Lu Liu, Florian Siekmann, et al.Journal of Chemical Theory and Computation|April 25, 2020
Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy BenchmarkAndrea Kreppel, Daniel Graf, Henryk Laqua, et al.The Journal of Physical Chemistry. A|September 6, 2024
Low-Scaling, Efficient and Memory Optimized Computation of Nuclear Magnetic Resonance Shieldings within the Random Phase Approximation Using Cholesky-Decomposed Densities and an Attenuated Coulomb MetricViktoria Drontschenko, Christian OchsenfeldJournal of Chemical Theory and Computation|October 20, 2023
Analytical Second-Order Properties for the Random Phase Approximation: Nuclear Magnetic Resonance ShieldingsViktoria Drontschenko, Felix H Bangerter, Christian OchsenfeldThe Journal of Chemical Physics|July 9, 2021
Accelerating seminumerical Fock-exchange calculations using mixed single- and double-precision arithmethicHenryk Laqua, Jörg Kussmann, Christian OchsenfeldJournal of Chemical Theory and Computation|July 5, 2024
Accurate NMR Shieldings with σ-FunctionalsSteffen Fauser, Viktoria Drontschenko, Christian Ochsenfeld, et al.Journal of Chemical Theory and Computation|June 8, 2022
Highly Efficient and Accurate Computation of Multiple Orbital Spaces Spanning Fock Matrix Elements on Central and Graphics Processing Units for Application in F12 TheoryLars Urban, Henryk Laqua, Christian OchsenfeldPageof 27