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Pierre-Francois Loos
Pierre-Francois Loos
CNRS senior researcher
Verified email at irsamc.ups-tlse.fr - Homepage
Title
Cited by
Cited by
Year
A mountaineering strategy to excited states: Highly accurate reference energies and benchmarks
PF Loos, A Scemama, A Blondel, Y Garniron, M Caffarel, D Jacquemin
Journal of chemical theory and computation 14 (8), 4360-4379, 2018
2502018
Reference energies for double excitations
PF Loos, M Boggio-Pasqua, A Scemama, M Caffarel, D Jacquemin
Journal of chemical theory and computation 15 (3), 1939-1956, 2019
1432019
A mountaineering strategy to excited states: Highly accurate energies and benchmarks for medium sized molecules
PF Loos, F Lipparini, M Boggio-Pasqua, A Scemama, D Jacquemin
Journal of Chemical Theory and Computation 16 (3), 1711-1741, 2020
1402020
Quantum package 2.0: An open-source determinant-driven suite of programs
Y Garniron, T Applencourt, K Gasperich, A Benali, A Ferté, J Paquier, ...
Journal of chemical theory and computation 15 (6), 3591-3609, 2019
1322019
Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory
Y Garniron, A Scemama, PF Loos, M Caffarel
The Journal of chemical physics 147 (3), 2017
1312017
The quest for highly accurate excitation energies: A computational perspective
PF Loos, A Scemama, D Jacquemin
The journal of physical chemistry letters 11 (6), 2374-2383, 2020
1172020
The Bethe–Salpeter equation formalism: From physics to chemistry
X Blase, I Duchemin, D Jacquemin, PF Loos
The Journal of Physical Chemistry Letters 11 (17), 7371-7382, 2020
1162020
Two electrons on a hypersphere: a quasiexactly solvable model
PF Loos, PMW Gill
Physical review letters 103 (12), 123008, 2009
1112009
Selected configuration interaction dressed by perturbation
Y Garniron, A Scemama, E Giner, M Caffarel, PF Loos
The Journal of Chemical Physics 149 (6), 2018
1092018
QUESTDB: A database of highly accurate excitation energies for the electronic structure community
M Véril, A Scemama, M Caffarel, F Lipparini, M Boggio‐Pasqua, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1517, 2021
1022021
Benchmarking TD-DFT and wave function methods for oscillator strengths and excited-state dipole moments
R Sarkar, M Boggio-Pasqua, PF Loos, D Jacquemin
Journal of Chemical Theory and Computation 17 (2), 1117-1132, 2021
972021
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
942022
The uniform electron gas
PF Loos, PMW Gill
Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (4), 410-429, 2016
902016
A theoretical study of Ru (II) polypyridyl DNA intercalators: structure and electronic absorption spectroscopy of [Ru (phen) 2 (dppz)] 2+ and [Ru (tap) 2 (dppz)] 2+ complexes …
D Ambrosek, PF Loos, X Assfeld, C Daniel
Journal of inorganic biochemistry 104 (9), 893-901, 2010
812010
Cross-comparisons between experiment, TD-DFT, CC, and ADC for transition energies
C Suellen, RG Freitas, PF Loos, D Jacquemin
Journal of Chemical Theory and Computation 15 (8), 4581-4590, 2019
682019
Exact wave functions of two-electron quantum rings
PF Loos, PMW Gill
Physical Review Letters 108 (8), 083002, 2012
682012
Ground state of two electrons on a sphere
PF Loos, PMW Gill
Physical Review A 79 (6), 062517, 2009
682009
Reference energies for intramolecular charge-transfer excitations
PF Loos, M Comin, X Blase, D Jacquemin
Journal of Chemical Theory and Computation 17 (6), 3666-3686, 2021
652021
Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes
A Scemama, A Benali, D Jacquemin, M Caffarel, PF Loos
The Journal of Chemical Physics 149 (3), 2018
632018
Mountaineering strategy to excited states: highly accurate energies and benchmarks for exotic molecules and radicals
PF Loos, A Scemama, M Boggio-Pasqua, D Jacquemin
Journal of Chemical Theory and Computation 16 (6), 3720-3736, 2020
612020
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