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Journal of Chemical Theory and Computation
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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.
The Journal of Chemical Physics
|
August 3, 2021
Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework
Iulia Emilia Brumboiu, Dirk R Rehn, Andreas Dreuw, et al.
The Journal of Chemical Physics
|
March 1, 2023
Solving response expressions in the ADC/ISR framework
Maximilian Scheurer, Antonia Papapostolou, Thomas Fransson, et al.
The Journal of Chemical Physics
|
November 8, 2022
Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order
Daniil A Fedotov, Mikael Scott, Maximilian Scheurer, et al.
Journal of Chemical Theory and Computation
|
October 8, 2016
Benchmarking Post-Hartree-Fock Methods To Describe the Nonlinear Optical Properties of Polymethines: An Investigation of the Accuracy of Algebraic Diagrammatic Construction (ADC) Approaches
Stefan Knippenberg, Rebecca L Gieseking, Dirk R Rehn, et al.
Journal of Computational Chemistry
|
June 30, 2015
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation
Felix Plasser, Benjamin Thomitzni, Stefanie A Bäppler, et al.
The Journal of Chemical Physics
|
February 25, 2012
Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: two-photon absorption spectra
S Knippenberg, D R Rehn, M Wormit, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 21, 2020
Deciphering the Electronic Transitions of Thiophene-Based Donor-Acceptor-Donor Pentameric Ligands Utilized for Multimodal Fluorescence Microscopy of Protein Aggregates
Camilla Gustafsson, Hamid Shirani, Petter Leira, et al.
The Journal of Chemical Physics
|
June 24, 2019
Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol
Vinícius Vaz da Cruz, Nina Ignatova, Rafael C Couto, et al.
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of 4
Search research articles
Search
Showing results (21-30 of 31) with videos related to
Sort By:
Page
of 4
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.
The Journal of Chemical Physics
|
August 3, 2021
Analytical gradients for core-excited states in the algebraic diagrammatic construction (ADC) framework
Iulia Emilia Brumboiu, Dirk R Rehn, Andreas Dreuw, et al.
The Journal of Chemical Physics
|
March 1, 2023
Solving response expressions in the ADC/ISR framework
Maximilian Scheurer, Antonia Papapostolou, Thomas Fransson, et al.
The Journal of Chemical Physics
|
November 8, 2022
Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order
Daniil A Fedotov, Mikael Scott, Maximilian Scheurer, et al.
Journal of Chemical Theory and Computation
|
October 8, 2016
Benchmarking Post-Hartree-Fock Methods To Describe the Nonlinear Optical Properties of Polymethines: An Investigation of the Accuracy of Algebraic Diagrammatic Construction (ADC) Approaches
Stefan Knippenberg, Rebecca L Gieseking, Dirk R Rehn, et al.
Journal of Computational Chemistry
|
June 30, 2015
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation
Felix Plasser, Benjamin Thomitzni, Stefanie A Bäppler, et al.
The Journal of Chemical Physics
|
February 25, 2012
Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: two-photon absorption spectra
S Knippenberg, D R Rehn, M Wormit, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 21, 2020
Deciphering the Electronic Transitions of Thiophene-Based Donor-Acceptor-Donor Pentameric Ligands Utilized for Multimodal Fluorescence Microscopy of Protein Aggregates
Camilla Gustafsson, Hamid Shirani, Petter Leira, et al.
The Journal of Chemical Physics
|
June 24, 2019
Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol
Vinícius Vaz da Cruz, Nina Ignatova, Rafael C Couto, et al.
Page
of 4