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The Journal of Chemical Physics
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July 27, 2011
Analysis of self-consistency effects in range-separated density-functional theory with Møller-Plesset perturbation theory
Emmanuel Fromager, Hans Jørgen Aa Jensen
Journal of Chemical Theory and Computation
|
October 17, 2025
Local Potential Functional Embedding Theory of Molecular Systems: Localized Orbital-Based Embedding from an Exact Density-Functional Perspective
Wafa Makhlouf, Bruno Senjean, Emmanuel Fromager
The Journal of Chemical Physics
|
March 3, 2007
On the universality of the long-/short-range separation in multiconfigurational density-functional theory
Emmanuel Fromager, Julien Toulouse, Hans Jorgen Aa Jensen
Topics in Current Chemistry (Cham)
|
November 26, 2021
Ensemble Density Functional Theory of Neutral and Charged Excitations : Exact Formulations, Standard Approximations, and Open Questions
Filip Cernatic, Bruno Senjean, Vincent Robert, et al.
The Journal of Chemical Physics
|
March 8, 2013
Multi-configuration time-dependent density-functional theory based on range separation
Emmanuel Fromager, Stefan Knecht, Hans Jørgen Aa Jensen
The Journal of Chemical Physics
|
November 5, 2005
On the accuracy of one-component pseudopotential spin-orbit calculations
Emmanuel Fromager, Lucas Visscher, Laurent Maron, et al.
The Journal of Chemical Physics
|
February 17, 2017
Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach
Sergi Vela, Martin Verot, Emmanuel Fromager, et al.
The Journal of Chemical Physics
|
December 13, 2022
Quantum embedding of multi-orbital fragments using the block-Householder transformation
Saad Yalouz, Sajanthan Sekaran, Emmanuel Fromager, et al.
The Journal of Chemical Physics
|
December 3, 2017
Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states
Md Mehboob Alam, Killian Deur, Stefan Knecht, et al.
Faraday Discussions
|
September 10, 2020
Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems
Clotilde Marut, Bruno Senjean, Emmanuel Fromager, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 31) with videos related to
Sort By:
Page
of 4
The Journal of Chemical Physics
|
July 27, 2011
Analysis of self-consistency effects in range-separated density-functional theory with Møller-Plesset perturbation theory
Emmanuel Fromager, Hans Jørgen Aa Jensen
Journal of Chemical Theory and Computation
|
October 17, 2025
Local Potential Functional Embedding Theory of Molecular Systems: Localized Orbital-Based Embedding from an Exact Density-Functional Perspective
Wafa Makhlouf, Bruno Senjean, Emmanuel Fromager
The Journal of Chemical Physics
|
March 3, 2007
On the universality of the long-/short-range separation in multiconfigurational density-functional theory
Emmanuel Fromager, Julien Toulouse, Hans Jorgen Aa Jensen
Topics in Current Chemistry (Cham)
|
November 26, 2021
Ensemble Density Functional Theory of Neutral and Charged Excitations : Exact Formulations, Standard Approximations, and Open Questions
Filip Cernatic, Bruno Senjean, Vincent Robert, et al.
The Journal of Chemical Physics
|
March 8, 2013
Multi-configuration time-dependent density-functional theory based on range separation
Emmanuel Fromager, Stefan Knecht, Hans Jørgen Aa Jensen
The Journal of Chemical Physics
|
November 5, 2005
On the accuracy of one-component pseudopotential spin-orbit calculations
Emmanuel Fromager, Lucas Visscher, Laurent Maron, et al.
The Journal of Chemical Physics
|
February 17, 2017
Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach
Sergi Vela, Martin Verot, Emmanuel Fromager, et al.
The Journal of Chemical Physics
|
December 13, 2022
Quantum embedding of multi-orbital fragments using the block-Householder transformation
Saad Yalouz, Sajanthan Sekaran, Emmanuel Fromager, et al.
The Journal of Chemical Physics
|
December 3, 2017
Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states
Md Mehboob Alam, Killian Deur, Stefan Knecht, et al.
Faraday Discussions
|
September 10, 2020
Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems
Clotilde Marut, Bruno Senjean, Emmanuel Fromager, et al.
Page
of 4