Emmanuel Fromager
Emmanuel Fromager
Verified email at unistra.fr
Title
Cited by
Cited by
Year
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), 074111, 2007
1692007
Multi-configuration time-dependent density-functional theory based on range separation
E Fromager, S Knecht, HJA Jensen
The Journal of chemical physics 138 (8), 084101, 2013
812013
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
692010
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
652008
On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating actinide species
E Fromager, F Réal, P Wåhlin, U Wahlgren, HJA Jensen
The Journal of chemical physics 131 (5), 054107, 2009
602009
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
542014
Rigorous formulation of two-parameter double-hybrid density-functionals
E Fromager
The Journal of chemical physics 135 (24), 244106, 2011
462011
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), 184308, 2013
412013
On the exact formulation of multi-configuration density-functional theory: electron density versus orbitals occupation
E Fromager
Molecular Physics 113 (5), 419-434, 2015
402015
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
402013
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
402004
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
352017
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), 134113, 2013
352013
Double hybrid density‐functional theory using the coulomb‐attenuating method
Y Cornaton, E Fromager
International Journal of Quantum Chemistry 114 (18), 1199-1211, 2014
282014
Local density approximation in site-occupation embedding theory
B Senjean, M Tsuchiizu, V Robert, E Fromager
Molecular Physics 115 (1-2), 48-62, 2017
252017
Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states
B Senjean, S Knecht, HJA Jensen, E Fromager
Phys. Rev. A 92, 012518, 2015
252015
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
242018
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), 094106, 2019
192019
Ghost-interaction correction in ensemble density-functional theory for excited states with and without range separation
MM Alam, S Knecht, E Fromager
Physical Review A 94 (1), 012511, 2016
192016
Spin− Orbit Effects in Electron Transfer in Neptunyl (VI)− Neptunyl (V) Complexes in Solution
E Fromager, V Vallet, B Schimmelpfennig, P Macak, T Privalov, ...
The Journal of Physical Chemistry A 109 (22), 4957-4960, 2005
182005
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