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Fromager, Emmanuel
147
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Online (147)
Mediatypes
Articles (Online) (63)
Bookchapter (Online) (1)
OpenAccess-fulltext (83)
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?
1
Density functional theory beyond the Born–Oppenheimer appro..:
Fromager, Emmanuel
;
Lasorne, Benjamin
Electronic Structure. 6 (2024) 2 - p. 025002 , 2024
Link:
https://doi.org/10.1088/..
?
2
Extended N‐centered ensemble density functional theory of d..:
Cernatic, Filip
;
Fromager, Emmanuel
Journal of Computational Chemistry. 45 (2024) 22 - p. 1945-1962 , 2024
Link:
https://doi.org/10.1002/..
?
3
A unified density matrix functional construction of quantum..:
Sekaran, Sajanthan
;
Bindech, Oussama
;
Fromager, Emmanuel
The Journal of Chemical Physics. 159 (2023) 3 - p. , 2023
Link:
https://doi.org/10.1063/..
?
4
Local Potential Functional Embedding Theory: A Self-Consist..:
Sekaran, Sajanthan
;
Saubanère, Matthieu
;
Fromager, Emmanuel
Computation. 10 (2022) 3 - p. 45 , 2022
Link:
https://doi.org/10.3390/..
?
5
Quantum embedding of multi-orbital fragments using the bloc..:
Yalouz, Saad
;
Sekaran, Sajanthan
;
Fromager, Emmanuel
.
The Journal of Chemical Physics. 157 (2022) 21 - p. , 2022
Link:
https://doi.org/10.1063/..
?
6
Reduced density matrix functional theory from an ab initio ..:
Senjean, Bruno
;
Yalouz, Saad
;
Nakatani, Naoki
.
Physical Review A. 106 (2022) 3 - p. , 2022
Link:
https://doi.org/10.1103/..
?
7
Ensemble Density Functional Theory of Neutral and Charged E..:
, In:
Topics in Current Chemistry Collections; New Horizons in Computational Chemistry Software
,
Cernatic, Filip
;
Senjean, Bruno
;
Robert, Vincent
. - p. 237-316 , 2022
Link:
https://doi.org/10.1007/..
?
8
DFT exchange: sharing perspectives on the workhorse of quan..:
Teale, Andrew M.
;
Helgaker, Trygve
;
Savin, Andreas
...
Physical Chemistry Chemical Physics. 24 (2022) 47 - p. 28700-28781 , 2022
Link:
https://doi.org/10.1039/..
?
9
Ensemble Density Functional Theory of Neutral and Charged E..:
Cernatic, Filip
;
Senjean, Bruno
;
Robert, Vincent
.
Topics in Current Chemistry. 380 (2021) 1 - p. , 2021
Link:
https://doi.org/10.1007/..
?
10
Exact exchange-correlation potentials for calculating the f..:
Hodgson, M. J. P.
;
Wetherell, J.
;
Fromager, Emmanuel
Physical Review A. 103 (2021) 1 - p. , 2021
Link:
https://doi.org/10.1103/..
?
11
Individual Correlations in Ensemble Density Functional Theo..:
Fromager, Emmanuel
Physical Review Letters. 124 (2020) 24 - p. , 2020
Link:
https://doi.org/10.1103/..
?
12
A weight-dependent local correlation density-functional app..:
Loos, Pierre-François
;
Fromager, Emmanuel
The Journal of Chemical Physics. 152 (2020) 21 - p. , 2020
Link:
https://doi.org/10.1063/..
?
13
New density-functional approximations and beyond: general d..:
Brandenburg, Jan Gerit
;
Burke, Kieron
;
Cancio, Antonio
...
Faraday Discussions. 224 (2020) - p. 166-200 , 2020
Link:
https://doi.org/10.1039/..
?
14
Weight dependence of local exchange–correlation functionals..:
Marut, Clotilde
;
Senjean, Bruno
;
Fromager, Emmanuel
.
Faraday Discussions. 224 (2020) - p. 402-423 , 2020
Link:
https://doi.org/10.1039/..
?
15
N‐centered ensemble density‐functional theory for open syst..:
Senjean, Bruno
;
Fromager, Emmanuel
International Journal of Quantum Chemistry. 120 (2020) 21 - p. , 2020
Link:
https://doi.org/10.1002/..
1-15