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The Journal of Chemical Physics|December 31, 2020
A range-separated generalized Kohn-Sham method including a long-range nonlocal random phase approximation correlation potentialDaniel Graf, Christian OchsenfeldJournal of Chemical Theory and Computation|August 2, 2019
Low-Scaling Self-Consistent Minimization of a Density Matrix Based Random Phase Approximation Method in the Atomic Orbital SpaceDaniel Graf, Matthias Beuerle, Christian OchsenfeldJournal of Chemical Theory and Computation|December 13, 2021
Benchmarking the Accuracy of the Direct Random Phase Approximation and σ-Functionals for NMR ShieldingsMichael Glasbrenner, Daniel Graf, Christian OchsenfeldJournal of Chemical Theory and Computation|October 19, 2020
Efficient Reduced-Scaling Second-Order Møller-Plesset Perturbation Theory with Cholesky-Decomposed Densities and an Attenuated Coulomb MetricMichael Glasbrenner, Daniel Graf, Christian OchsenfeldJournal 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.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|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 Chemical Physics|June 6, 2018
Efficient calculation of beyond RPA correlation energies in the dielectric matrix formalismMatthias Beuerle, Daniel Graf, Henry F Schurkus, 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.Pageof 27