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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 Metric
Viktoria Drontschenko, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
July 5, 2024
Accurate NMR Shieldings with σ-Functionals
Steffen Fauser, Viktoria Drontschenko, Christian Ochsenfeld, et al.
Journal of Chemical Theory and Computation
|
October 20, 2023
Analytical Second-Order Properties for the Random Phase Approximation: Nuclear Magnetic Resonance Shieldings
Viktoria Drontschenko, Felix H Bangerter, Christian Ochsenfeld
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 Energy
Viktoria 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 Approximation
Viktoria 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 methods
Daniel 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-Functionals
Daniel Graf, Lu Liu, Florian Siekmann, et al.
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Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
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 Metric
Viktoria Drontschenko, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
July 5, 2024
Accurate NMR Shieldings with σ-Functionals
Steffen Fauser, Viktoria Drontschenko, Christian Ochsenfeld, et al.
Journal of Chemical Theory and Computation
|
October 20, 2023
Analytical Second-Order Properties for the Random Phase Approximation: Nuclear Magnetic Resonance Shieldings
Viktoria Drontschenko, Felix H Bangerter, Christian Ochsenfeld
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 Energy
Viktoria 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 Approximation
Viktoria 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 methods
Daniel 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-Functionals
Daniel Graf, Lu Liu, Florian Siekmann, et al.
Page
of 1