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The Journal of Chemical Physics
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May 2, 2025
Response properties from frozen-density embedding approximate second-order coupled-cluster theory
Niklas Niemeyer, Johannes Neugebauer
The Journal of Chemical Physics
|
April 23, 2022
Origin invariant electronic circular dichroism in the length dipole gauge without London atomic orbitals
Niklas Niemeyer, Marco Caricato, Johannes Neugebauer
Journal of Chemical Theory and Computation
|
April 18, 2020
Approximate versus Exact Embedding for Chiroptical Properties: Reconsidering Failures in Potential and Response
Niklas Niemeyer, Johannes Tölle, Johannes Neugebauer
Journal of Chemical Theory and Computation
|
March 12, 2024
Accelerating Analytic-Continuation GW Calculations with a Laplace Transform and Natural Auxiliary Functions
Johannes Tölle, Niklas Niemeyer, Johannes Neugebauer
The Journal of Chemical Physics
|
November 10, 2019
Inter-subsystem charge-transfer excitations in exact subsystem time-dependent density-functional theory
Johannes Tölle, Michael Böckers, Niklas Niemeyer, et al.
Journal of Chemical Theory and Computation
|
October 21, 2025
Efficient Subsystem TDDFT Calculations for Optical Rotatory Dispersion of Molecules in Solution: Converging the Configurational Averaging for Norbornenone in Acetonitrile
Sakyo Ochi, Niklas Niemeyer, Diddo Diddens, et al.
Journal of Chemical Theory and Computation
|
April 21, 2022
Automated Generation of Optimized Auxiliary Basis Sets for Long-Range-Corrected TDDFT Using the Cholesky Decomposition
Lars Hellmann, Johannes Tölle, Niklas Niemeyer, et al.
Journal of Chemical Theory and Computation
|
March 7, 2024
Triplet Excitation-Energy Transfer Couplings from Subsystem Time-Dependent Density-Functional Theory
Sabine Käfer, Niklas Niemeyer, Johannes Tölle, et al.
Angewandte Chemie (International Ed. in English)
|
October 5, 2023
Sterically Allowed H-type Supramolecular Polymerizations
Rasitha Manha Veedu, Niklas Niemeyer, Nils Bäumer, et al.
Nature Communications
|
July 7, 2024
Molecular and supramolecular adaptation by coupled stimuli
Torsten Dünnebacke, Niklas Niemeyer, Sebastian Baumert, et al.
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Search research articles
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Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
May 2, 2025
Response properties from frozen-density embedding approximate second-order coupled-cluster theory
Niklas Niemeyer, Johannes Neugebauer
The Journal of Chemical Physics
|
April 23, 2022
Origin invariant electronic circular dichroism in the length dipole gauge without London atomic orbitals
Niklas Niemeyer, Marco Caricato, Johannes Neugebauer
Journal of Chemical Theory and Computation
|
April 18, 2020
Approximate versus Exact Embedding for Chiroptical Properties: Reconsidering Failures in Potential and Response
Niklas Niemeyer, Johannes Tölle, Johannes Neugebauer
Journal of Chemical Theory and Computation
|
March 12, 2024
Accelerating Analytic-Continuation GW Calculations with a Laplace Transform and Natural Auxiliary Functions
Johannes Tölle, Niklas Niemeyer, Johannes Neugebauer
The Journal of Chemical Physics
|
November 10, 2019
Inter-subsystem charge-transfer excitations in exact subsystem time-dependent density-functional theory
Johannes Tölle, Michael Böckers, Niklas Niemeyer, et al.
Journal of Chemical Theory and Computation
|
October 21, 2025
Efficient Subsystem TDDFT Calculations for Optical Rotatory Dispersion of Molecules in Solution: Converging the Configurational Averaging for Norbornenone in Acetonitrile
Sakyo Ochi, Niklas Niemeyer, Diddo Diddens, et al.
Journal of Chemical Theory and Computation
|
April 21, 2022
Automated Generation of Optimized Auxiliary Basis Sets for Long-Range-Corrected TDDFT Using the Cholesky Decomposition
Lars Hellmann, Johannes Tölle, Niklas Niemeyer, et al.
Journal of Chemical Theory and Computation
|
March 7, 2024
Triplet Excitation-Energy Transfer Couplings from Subsystem Time-Dependent Density-Functional Theory
Sabine Käfer, Niklas Niemeyer, Johannes Tölle, et al.
Angewandte Chemie (International Ed. in English)
|
October 5, 2023
Sterically Allowed H-type Supramolecular Polymerizations
Rasitha Manha Veedu, Niklas Niemeyer, Nils Bäumer, et al.
Nature Communications
|
July 7, 2024
Molecular and supramolecular adaptation by coupled stimuli
Torsten Dünnebacke, Niklas Niemeyer, Sebastian Baumert, et al.
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of 2