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The Journal of Chemical Physics|August 6, 2005
Atomic spin-orbit pseudopotential definition and its relation to the different relativistic approximationsEmmanuel Fromager, Christian Teichteil, Laurent MaronChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 26, 2022
Emergence of Spinmerism for Molecular Spin-Qubits GenerationPablo Roseiro, Louis Petit, Vincent Robert, et al.Journal of Computational Chemistry|July 13, 2026
Exactly Factorized Molecular Kohn-Sham Density Functional TheoryLucien Dupuy, Benjamin Lasorne, Emmanuel FromagerChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 23, 2024
Interplay between Spinmerism and Spin-Orbit Coupling for a d2 Metal Ion in an Open-Shell Ligand FieldPablo Roseiro, Ashini Shah, Saad Yalouz, et al.The Journal of Chemical Physics|July 27, 2011
Analysis of self-consistency effects in range-separated density-functional theory with Møller-Plesset perturbation theoryEmmanuel Fromager, Hans Jørgen Aa JensenJournal 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 PerspectiveWafa Makhlouf, Bruno Senjean, Emmanuel FromagerThe Journal of Chemical Physics|March 3, 2007
On the universality of the long-/short-range separation in multiconfigurational density-functional theoryEmmanuel Fromager, Julien Toulouse, Hans Jorgen Aa JensenThe Journal of Chemical Physics|March 8, 2013
Multi-configuration time-dependent density-functional theory based on range separationEmmanuel Fromager, Stefan Knecht, Hans Jørgen Aa JensenThe Journal of Chemical Physics|November 5, 2005
On the accuracy of one-component pseudopotential spin-orbit calculationsEmmanuel 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 approachSergi Vela, Martin Verot, Emmanuel Fromager, et al.Pageof 5