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Scemama, Anthony
421
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Online (421)
Mediatypes
Articles (Online) (75)
OpenAccess-fulltext (346)
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english (328)
french (12)
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1
Modified Expression for the Hamiltonian Expectation Value E..:
Scemama, Anthony
;
Savin, Andreas
The Journal of Physical Chemistry A. 128 (2024) 24 - p. 4923-4935 , 2024
Link:
https://doi.org/10.1021/..
?
2
State-Specific Coupled-Cluster Methods for Excited States:
Damour, Yann
;
Scemama, Anthony
;
Jacquemin, Denis
..
Journal of Chemical Theory and Computation. 20 (2024) 10 - p. 4129-4145 , 2024
Link:
https://doi.org/10.1021/..
?
3
Exploring the role of mean‐field potentials and short‐range..:
Scemama, Anthony
;
Savin, Andreas
Journal of Computational Chemistry. 45 (2024) 24 - p. 2091-2097 , 2024
Link:
https://doi.org/10.1002/..
?
4
Stochastically accelerated perturbative triples correction ..:
Damour, Yann
;
Gallo, Alejandro
;
Scemama, Anthony
The Journal of Chemical Physics. 161 (2024) 3 - p. , 2024
Link:
https://doi.org/10.1063/..
?
5
Long-Range Configuration Interaction with an Ab Initio Shor..:
Scemama, Anthony
;
Savin, Andreas
The Journal of Physical Chemistry A. , 2024
Link:
https://doi.org/10.1021/..
?
6
Transcorrelated selected configuration interaction in a bi-..:
Ammar, Abdallah
;
Scemama, Anthony
;
Giner, Emmanuel
The Journal of Chemical Physics. 159 (2023) 11 - p. , 2023
Link:
https://doi.org/10.1063/..
?
7
Biorthonormal Orbital Optimization with a Cheap Core-Electr..:
Ammar, Abdallah
;
Scemama, Anthony
;
Giner, Emmanuel
Journal of Chemical Theory and Computation. , 2023
Link:
https://doi.org/10.1021/..
?
8
TREXIO: A file format and library for quantum chemistry:
Posenitskiy, Evgeny
;
Chilkuri, Vijay Gopal
;
Ammar, Abdallah
...
The Journal of Chemical Physics. 158 (2023) 17 - p. , 2023
Link:
https://doi.org/10.1063/..
?
9
Reference Energies for Cyclobutadiene: Automerization and E..:
Monino, Enzo
;
Boggio-Pasqua, Martial
;
Scemama, Anthony
..
The Journal of Physical Chemistry A. 126 (2022) 28 - p. 4664-4679 , 2022
Link:
https://doi.org/10.1021/..
?
10
Double Excitation Energies from Quantum Monte Carlo Using S..:
Shepard, Stuart
;
Panadés-Barrueta, Ramón L.
;
Moroni, Saverio
..
Journal of Chemical Theory and Computation. 18 (2022) 11 - p. 6722-6731 , 2022
Link:
https://doi.org/10.1021/..
?
11
A quantum Monte Carlo study of systems with effective core ..:
Zhou, Haihan
;
Scemama, Anthony
;
Wang, Guangming
...
Chemical Physics. 554 (2022) - p. 111402 , 2022
Link:
https://doi.org/10.1016/..
?
12
The effect of uncertainty on building blocks in molecules:
Scemama, Anthony
;
Savin, Andreas
The Journal of Chemical Physics. 156 (2022) 23 - p. , 2022
Link:
https://doi.org/10.1063/..
?
13
Reference Excitation Energies of Increasingly Large Molecul..:
Cuzzocrea, Alice
;
Moroni, Saverio
;
Scemama, Anthony
.
Journal of Chemical Theory and Computation. 18 (2022) 2 - p. 1089-1095 , 2022
Link:
https://doi.org/10.1021/..
?
14
Optimization of Large Determinant Expansions in Quantum Mon..:
Ammar, Abdallah
;
Giner, Emmanuel
;
Scemama, Anthony
Journal of Chemical Theory and Computation. 18 (2022) 9 - p. 5325-5336 , 2022
Link:
https://doi.org/10.1021/..
?
15
Extension of selected configuration interaction for transco..:
Ammar, Abdallah
;
Scemama, Anthony
;
Giner, Emmanuel
The Journal of Chemical Physics. 157 (2022) 13 - p. , 2022
Link:
https://doi.org/10.1063/..
1-15