Pierre-Francois Loos

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Citations	3615	2638
h-index	34	27
i10-index	92	65

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Anthony scemamaCNRS, Université Paul Sabatier, ToulouseVerified email at irsamc.ups-tlse.fr
Denis JacqueminProf. University of NantesVerified email at univ-nantes.fr
Peter M. W. GillSchofield Professor of Theoretical Chemistry, University of SydneyVerified email at sydney.edu.au
Michel CaffarelCNRS-Université de ToulouseVerified email at irsamc.ups-tlse.fr
Xavier AssfeldDepartment of theoretical physic and theoretical chemistry, Université de LorraineVerified email at univ-lorraine.fr
Emmanuel GinerChercheur, Sorbonne UniversitésVerified email at lct.jussieu.fr
Anouar BenaliComputational Scientist, Argonne National LaboratoryVerified email at anl.gov
Julien ToulouseLaboratoire de Chimie Théorique, Sorbonne Université & CNRS, IUF, Paris, FranceVerified email at lct.jussieu.fr
Mickaël VérilPhD student Université Toulouse III Paul SabatierVerified email at irsamc.ups-tlse.fr
Elise DumontProfessor in Chemistry, Institut de Chimie de Nice, Université Côte d’AzurVerified email at univ-cotedazur.fr
Thomas ApplencourtLeadership Computing Facility, Argonne National LaboratoryVerified email at anl.gov
Roland AssarafCNRS - Sorbonne UniversitéVerified email at lct.jussieu.fr
Giuseppe M J BarcaLecturer (Assistant Professor), high-performance computing, the Australian National UniversityVerified email at anu.edu.au
Anthony FertéChercheur doctorant, LCPMR, Sorbonne UniversitéVerified email at sorbonne-universite.fr
Peter ReinhardtLCT, Department of Chemistry, Sorbonne UniversityVerified email at sorbonne-universite.fr
arianna forniliQueen Mary University of LondonVerified email at qmul.ac.uk
Chantal DanielUniversité de StrasbourgVerified email at unistra.fr
Jean-Louis RivailUniversité de LorraineVerified email at univ-lorraine.fr
Davids AgboolaThe University of Queensland & QIMR BerghoferVerified email at maths.uq.edu.au
Dario BressaniniResearch Professor of Physical Chemistry, Università dell'InsubriaVerified email at uninsubria.it

Pierre-Francois Loos

CNRS senior researcher

Verified email at irsamc.ups-tlse.fr - Homepage

Theoretical Chemistry


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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	218	2018
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	123	2019
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	122	2017
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	114	2020
Two electrons on a hypersphere: a quasiexactly solvable model PF Loos, PMW Gill Physical review letters 103 (12), 123008, 2009	109	2009
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	106	2019
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	98	2018
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	93	2020
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	85	2020
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	81	2010
The uniform electron gas PF Loos, PMW Gill Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (4), 410-429, 2016	71	2016
QUESTDB: A database of highly accurate excitation energies for the electronic structure community M Veril, A Scemama, M Caffarel, F Lipparini, M Boggio‐Pasqua, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1517, 2021	68	2021
Ground state of two electrons on a sphere PF Loos, PMW Gill Physical Review A 79 (6), 062517, 2009	67	2009
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	66	2021
Exact wave functions of two-electron quantum rings PF Loos, PMW Gill Physical Review Letters 108 (8), 083002, 2012	66	2012
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	62	2018
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	57	2019
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	52	2018
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	49	2020
Theoretical 0–0 energies with chemical accuracy PF Loos, N Galland, D Jacquemin The Journal of Physical Chemistry Letters 9 (16), 4646-4651, 2018	47	2018

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