Emmanuel Fromager
Emmanuel Fromager
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On the universality of the long-/short-range separation in multiconfigurational density-functional theory
E Fromager, J Toulouse, HJA Jensen
The Journal of chemical physics 126 (7), 2007
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ...
Physical chemistry chemical physics 24 (47), 28700-28781, 2022
Multi-configuration time-dependent density-functional theory based on range separation
E Fromager, S Knecht, HJA Jensen
The Journal of Chemical Physics 138 (8), 2013
Merging multireference perturbation and density-functional theories by means of range separation: Potential curves for Be 2, Mg 2, and Ca 2
E Fromager, R Cimiraglia, HJA Jensen
Physical Review A 81 (2), 024502, 2010
Self-consistent many-body perturbation theory in range-separated density-functional theory: A one-electron reduced-density-matrix-based formulation
E Fromager, HJA Jensen
Physical Review A 78 (2), 022504, 2008
On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f actinide species
E Fromager, F Réal, P Wåhlin, U Wahlgren, HJA Jensen
The Journal of chemical physics 131 (5), 2009
Generalised adiabatic connection in ensemble density-functional theory for excited states: example of the H2 molecule
O Franck, E Fromager
Molecular Physics 112 (12), 1684-1701, 2014
On the exact formulation of multi-configuration density-functional theory: electron density versus orbitals occupation
E Fromager
Molecular Physics 113 (5), 419-434, 2015
Rigorous formulation of two-parameter double-hybrid density-functionals
E Fromager
The Journal of chemical physics 135 (24), 2011
Exact ensemble density functional theory for excited states in a model system: Investigating the weight dependence of the correlation energy
K Deur, L Mazouin, E Fromager
Physical Review B 95 (3), 035120, 2017
Assessment of charge-transfer excitations with time-dependent, range-separated density functional theory based on long-range MP2 and multiconfigurational self-consistent field …
ED Hedegård, F Heiden, S Knecht, E Fromager, HJA Jensen
The Journal of chemical physics 139 (18), 2013
Analysis of double-hybrid density functionals along the adiabatic connection
Y Cornaton, O Franck, AM Teale, E Fromager
Molecular Physics 111 (9-11), 1275-1294, 2013
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
A Stoyanova, AM Teale, J Toulouse, T Helgaker, E Fromager
The Journal of Chemical Physics 139 (13), 2013
Unified formulation of fundamental and optical gap problems in density-functional theory for ensembles
B Senjean, E Fromager
Physical Review A 98 (2), 022513, 2018
Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation
K Deur, E Fromager
The Journal of Chemical Physics 150 (9), 2019
Electron Transfer in Uranyl (VI)− Uranyl (V) Complexes in Solution
T Privalov, P Macak, B Schimmelpfennig, E Fromager, I Grenthe, ...
Journal of the American Chemical Society 126 (31), 9801-9808, 2004
Individual correlations in ensemble density-functional theory: State-driven/density-driven decomposition without additional Kohn-Sham systems
E Fromager
Phys. Rev. Lett. 124, 243001 (2020), 2020
Local density approximation in site-occupation embedding theory
B Senjean, M Tsuchiizu, V Robert, E Fromager
Molecular Physics 115 (1-2), 48-62, 2017
A weight-dependent local correlation density-functional approximation for ensembles
PF Loos, E Fromager
The Journal of Chemical Physics 152 (21), 2020
Double hybrid density‐functional theory using the coulomb‐attenuating method
Y Cornaton, E Fromager
International Journal of Quantum Chemistry 114 (18), 1199-1211, 2014
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