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Pierre-Francois Loos
Pierre-Francois Loos
CNRS senior researcher
Verified email at irsamc.ups-tlse.fr - Homepage
Title
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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
1872018
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), 034101, 2017
1172017
Two electrons on a hypersphere: a quasiexactly solvable model
PF Loos, PMW Gill
Physical review letters 103 (12), 123008, 2009
1052009
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
972019
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
882019
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
872020
Selected configuration interaction dressed by perturbation
Y Garniron, A Scemama, E Giner, M Caffarel, PF Loos
The Journal of Chemical Physics 149 (6), 064103, 2018
872018
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
782010
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
772020
Ground state of two electrons on a sphere
PF Loos, PMW Gill
Physical Review A 79 (6), 062517, 2009
662009
Exact wave functions of two-electron quantum rings
PF Loos, PMW Gill
Physical Review Letters 108 (8), 083002, 2012
642012
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
592020
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), 034108, 2018
582018
The uniform electron gas
PF Loos, PMW Gill
Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (4), 410-429, 2016
572016
Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS
A Scemama, Y Garniron, M Caffarel, PF Loos
Journal of chemical theory and computation 14 (3), 1395-1402, 2018
512018
Excited states of spherium
PF Loos, PMW Gill
Molecular Physics 108 (19-20), 2527-2532, 2010
482010
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
472019
Correlation energy of two electrons in the high-density limit
PF Loos, PMW Gill
The Journal of chemical physics 131 (24), 241101, 2009
462009
Theoretical 0–0 energies with chemical accuracy
PF Loos, N Galland, D Jacquemin
The Journal of Physical Chemistry Letters 9 (16), 4646-4651, 2018
442018
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
402020
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