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The Journal of Chemical Physics
|
July 11, 2023
Lagrangian Z-vector approach to Bethe-Salpeter analytic gradients: Assessing approximations
J Villalobos-Castro, Iryna Knysh, Denis Jacquemin, et al.
The Journal of Physical Chemistry Letters
|
April 17, 2020
Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies
Pierre-François Loos, Anthony Scemama, Ivan Duchemin, et al.
The Journal of Chemical Physics
|
November 3, 2016
Erratum: "GW and Bethe-Salpeter study of small water clusters" [J. Chem. Phys. 144, 034109 (2016)]
Xavier Blase, Paul Boulanger, Fabien Bruneval, et al.
The Journal of Chemical Physics
|
January 24, 2016
GW and Bethe-Salpeter study of small water clusters
Xavier Blase, Paul Boulanger, Fabien Bruneval, et al.
The Journal of Physical Chemistry. A
|
July 25, 2017
Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions
Cloé Azarias, Chloé Habert, Šimon Budzák, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples
Paul Boulanger, Siwar Chibani, Boris Le Guennic, et al.
The Journal of Physical Chemistry Letters
|
April 12, 2023
Exploring Bethe-Salpeter Excited-State Dipoles: The Challenging Case of Increasingly Long Push-Pull Oligomers
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, et al.
The Journal of Physical Chemistry Letters
|
June 16, 2023
Correction to "Exploring Bethe-Salpeter Excited-State Dipoles: The Challenging Case of Increasingly Long Push-Pull Oligomers"
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2023
Excess and excited-state dipole moments of real-life dyes: a comparison between wave-function, BSE/<i>GW</i>, and TD-DFT values
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Benchmark Many-Body GW and Bethe-Salpeter Calculations for Small Transition Metal Molecules
Sabine Körbel, Paul Boulanger, Ivan Duchemin, et al.
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Search research articles
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Showing results (31-40 of 44) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
July 11, 2023
Lagrangian Z-vector approach to Bethe-Salpeter analytic gradients: Assessing approximations
J Villalobos-Castro, Iryna Knysh, Denis Jacquemin, et al.
The Journal of Physical Chemistry Letters
|
April 17, 2020
Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies
Pierre-François Loos, Anthony Scemama, Ivan Duchemin, et al.
The Journal of Chemical Physics
|
November 3, 2016
Erratum: "GW and Bethe-Salpeter study of small water clusters" [J. Chem. Phys. 144, 034109 (2016)]
Xavier Blase, Paul Boulanger, Fabien Bruneval, et al.
The Journal of Chemical Physics
|
January 24, 2016
GW and Bethe-Salpeter study of small water clusters
Xavier Blase, Paul Boulanger, Fabien Bruneval, et al.
The Journal of Physical Chemistry. A
|
July 25, 2017
Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions
Cloé Azarias, Chloé Habert, Šimon Budzák, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Combining the Bethe-Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples
Paul Boulanger, Siwar Chibani, Boris Le Guennic, et al.
The Journal of Physical Chemistry Letters
|
April 12, 2023
Exploring Bethe-Salpeter Excited-State Dipoles: The Challenging Case of Increasingly Long Push-Pull Oligomers
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, et al.
The Journal of Physical Chemistry Letters
|
June 16, 2023
Correction to "Exploring Bethe-Salpeter Excited-State Dipoles: The Challenging Case of Increasingly Long Push-Pull Oligomers"
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2023
Excess and excited-state dipole moments of real-life dyes: a comparison between wave-function, BSE/<i>GW</i>, and TD-DFT values
Iryna Knysh, Jose D J Villalobos-Castro, Ivan Duchemin, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Benchmark Many-Body GW and Bethe-Salpeter Calculations for Small Transition Metal Molecules
Sabine Körbel, Paul Boulanger, Ivan Duchemin, et al.
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