Emmanuel Fromager, Ph.D.

Affiliations: 
Université de Strasbourg 
Area:
Theoretical Chemistry
Website:
http://quantique.u-strasbg.fr/doku.php?id=fr:pageperso:ef:welcome
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"Emmanuel Fromager"
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Publications

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Cernatic F, Senjean B, Robert V, et al. (2021) Ensemble Density Functional Theory of Neutral and Charged Excitations : Exact Formulations, Standard Approximations, and Open Questions. Topics in Current Chemistry (Cham). 380: 4
Brandenburg JG, Burke K, Fromager E, et al. (2020) New approaches to study excited states in density functional theory: general discussion. Faraday Discussions
Fromager E, Gidopoulos N, Gori-Giorgi P, et al. (2020) Strong correlation in density functional theory: general discussion. Faraday Discussions
Brandenburg JG, Burke K, Cancio A, et al. (2020) New density-functional approximations and beyond: general discussion. Faraday Discussions
Marut C, Senjean B, Fromager E, et al. (2020) Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems. Faraday Discussions
Fromager E. (2020) Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham Systems. Physical Review Letters. 124: 243001
Deur K, Fromager E. (2019) Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation. The Journal of Chemical Physics. 150: 094106
Alam MM, Deur K, Knecht S, et al. (2017) Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states. The Journal of Chemical Physics. 147: 204105
Vela S, Verot M, Fromager E, et al. (2017) Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach. The Journal of Chemical Physics. 146: 064112
Alam MM, Knecht S, Fromager E. (2016) Ghost-interaction correction in ensemble density-functional theory for excited states with and without range separation Physical Review A. 94
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