Publications by authors named "Emmanuel Fromager"

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E
Exact Static Linear Response of Excited States from Ensemble Density Functional Theory.
Lucien Dupuy, Emmanuel Fromager

J Phys Chem A· October 2025

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Local Potential Functional Embedding Theory of Molecular Systems: Localized Orbital-Based Embedding from an Exact Density-Functional Perspective.
Wafa Makhlouf, Bruno Senjean, Emmanuel Fromager

J Chem Theory Comput· October 2025

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Ensemble Density Functional Theory of Ground and Excited Energy Levels.
Emmanuel Fromager

J Phys Chem A· January 2025

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Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles.
Filip Cernatic, Emmanuel Fromager, Saad Yalouz

J Chem Phys· September 2024

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Extended N-centered ensemble density functional theory of double electronic excitations.
Filip Cernatic, Emmanuel Fromager

J Comput Chem· August 2024

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A unified density matrix functional construction of quantum baths in density matrix embedding theory beyond the mean-field approximation.
Sajanthan Sekaran, Oussama Bindech, Emmanuel Fromager

J Chem Phys· July 2023

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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
Andrew M Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Emmanuel Fromager

Phys Chem Chem Phys· December 2022

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Quantum embedding of multi-orbital fragments using the block-Householder transformation.
Saad Yalouz, Sajanthan Sekaran, Emmanuel Fromager, Matthieu Saubanère

J Chem Phys· December 2022

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Ensemble Density Functional Theory of Neutral and Charged Excitations : Exact Formulations, Standard Approximations, and Open Questions.
Filip Cernatic, Bruno Senjean, Vincent Robert, Emmanuel Fromager

Top Curr Chem (Cham)· November 2021

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Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems.
Clotilde Marut, Bruno Senjean, Emmanuel Fromager, Pierre-François Loos

Faraday Discuss· December 2020

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New density-functional approximations and beyond: general discussion.
Jan Gerit Brandenburg, Kieron Burke, Antonio Cancio, Jannis Erhard, Emmanuel Fromager

Faraday Discuss· December 2020

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Strong correlation in density functional theory: general discussion.
Emmanuel Fromager, Nikitas Gidopoulos, Paola Gori-Giorgi, Trygve Helgaker, Pierre-François Loos

Faraday Discuss· December 2020

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New approaches to study excited states in density functional theory: general discussion.
Jan Gerit Brandenburg, Kieron Burke, Emmanuel Fromager, Matteo Gatti, Sara Giarrusso

Faraday Discuss· December 2020

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A weight-dependent local correlation density-functional approximation for ensembles.
Pierre-François Loos, Emmanuel Fromager

J Chem Phys· June 2020

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Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham Systems.
Emmanuel Fromager

Phys Rev Lett· June 2020

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Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation.
Killian Deur, Emmanuel Fromager

J Chem Phys· March 2019

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Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states.
Md Mehboob Alam, Killian Deur, Stefan Knecht, Emmanuel Fromager

J Chem Phys· November 2017

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Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach.
Sergi Vela, Martin Verot, Emmanuel Fromager, Vincent Robert

J Chem Phys· February 2017

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Assessment of charge-transfer excitations with time-dependent, range-separated density functional theory based on long-range MP2 and multiconfigurational self-consistent field wave functions.
Erik Donovan Hedegård, Frank Heiden, Stefan Knecht, Emmanuel Fromager, Hans Jørgen Aagaard Jensen

J Chem Phys· November 2013

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Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory.
Alexandrina Stoyanova, Andrew M Teale, Julien Toulouse, Trygve Helgaker, Emmanuel Fromager

J Chem Phys· October 2013

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Multi-configuration time-dependent density-functional theory based on range separation.
Emmanuel Fromager, Stefan Knecht, Hans Jørgen Aa Jensen

J Chem Phys· February 2013

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Rigorous formulation of two-parameter double-hybrid density-functionals.
Emmanuel Fromager

J Chem Phys· December 2011

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Analysis of self-consistency effects in range-separated density-functional theory with Møller-Plesset perturbation theory.
Emmanuel Fromager, Hans Jørgen Aa Jensen

J Chem Phys· July 2011

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On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide species.
Emmanuel Fromager, Florent Réal, Pernilla Wåhlin, Ulf Wahlgren, Hans Jørgen Aa Jensen

J Chem Phys· August 2009

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On the universality of the long-/short-range separation in multiconfigurational density-functional theory.
Emmanuel Fromager, Julien Toulouse, Hans Jorgen Aa Jensen

J Chem Phys· February 2007

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