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The Journal of Chemical Physics
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April 16, 2022
Exploring the accuracy and usefulness of semi-empirically scaled ADC schemes by blending second and third order terms
Marco Bauer, Adrian L Dempwolff, Dirk R Rehn, et al.
Journal of Chemical Theory and Computation
|
December 22, 2017
Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach
Natalie Orms, Dirk R Rehn, Andreas Dreuw, et al.
The Journal of Chemical Physics
|
May 10, 2019
Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. I. Excitation energies
Manuel Hodecker, Adrian L Dempwolff, Dirk R Rehn, et al.
The Journal of Physical Chemistry. A
|
September 25, 2024
Analytical Gradients for Electron-Attached and Ionized States for the Algebraic-Diagrammatic Construction Scheme for the Electron Propagator up to Third Order
Dirk R Rehn, Andreas Fink, Adrian L Dempwolff, et al.
The Journal of Chemical Physics
|
May 12, 2026
An efficient and exact reformulation of fourth-order algebraic diagrammatic construction schemes
Adrian J Müller, Jonas Leitner, Dirk R Rehn, et al.
The Journal of Chemical Physics
|
February 16, 2021
Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order
Mikael Scott, Dirk R Rehn, Sonia Coriani, et al.
The Journal of Chemical Physics
|
August 24, 2020
Complex excited state polarizabilities in the ADC/ISR framework
Maximilian Scheurer, Thomas Fransson, Patrick Norman, et al.
The Journal of Physical Chemistry. A
|
October 10, 2023
Cotton-Mouton Effect Using Algebraic Diagrammatic Construction Schemes in the Intermediate State Representation Formalism
Friederike Schneider, Antonia Papapostolou, Jonas Leitner, et al.
Journal of Chemical Theory and Computation
|
May 13, 2020
Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking
Manuel Hodecker, Sebastian M Thielen, Junzi Liu, et al.
The Journal of Chemical Physics
|
April 23, 2021
Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra
Sebastian M Thielen, Manuel Hodecker, Julia Piazolo, et al.
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of 3
Search research articles
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Showing results (11-20 of 28) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
April 16, 2022
Exploring the accuracy and usefulness of semi-empirically scaled ADC schemes by blending second and third order terms
Marco Bauer, Adrian L Dempwolff, Dirk R Rehn, et al.
Journal of Chemical Theory and Computation
|
December 22, 2017
Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach
Natalie Orms, Dirk R Rehn, Andreas Dreuw, et al.
The Journal of Chemical Physics
|
May 10, 2019
Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. I. Excitation energies
Manuel Hodecker, Adrian L Dempwolff, Dirk R Rehn, et al.
The Journal of Physical Chemistry. A
|
September 25, 2024
Analytical Gradients for Electron-Attached and Ionized States for the Algebraic-Diagrammatic Construction Scheme for the Electron Propagator up to Third Order
Dirk R Rehn, Andreas Fink, Adrian L Dempwolff, et al.
The Journal of Chemical Physics
|
May 12, 2026
An efficient and exact reformulation of fourth-order algebraic diagrammatic construction schemes
Adrian J Müller, Jonas Leitner, Dirk R Rehn, et al.
The Journal of Chemical Physics
|
February 16, 2021
Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order
Mikael Scott, Dirk R Rehn, Sonia Coriani, et al.
The Journal of Chemical Physics
|
August 24, 2020
Complex excited state polarizabilities in the ADC/ISR framework
Maximilian Scheurer, Thomas Fransson, Patrick Norman, et al.
The Journal of Physical Chemistry. A
|
October 10, 2023
Cotton-Mouton Effect Using Algebraic Diagrammatic Construction Schemes in the Intermediate State Representation Formalism
Friederike Schneider, Antonia Papapostolou, Jonas Leitner, et al.
Journal of Chemical Theory and Computation
|
May 13, 2020
Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking
Manuel Hodecker, Sebastian M Thielen, Junzi Liu, et al.
The Journal of Chemical Physics
|
April 23, 2021
Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectra
Sebastian M Thielen, Manuel Hodecker, Julia Piazolo, et al.
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of 3