Pierre-Francois Loos

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Denis JacqueminProf. University of NantesVerified email at univ-nantes.fr
Anthony scemamaCNRS, Université Paul Sabatier, ToulouseVerified email at irsamc.ups-tlse.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
Julien ToulouseLaboratoire de Chimie Théorique, Sorbonne Université & CNRS, IUF, Paris, FranceVerified email at lct.jussieu.fr
Anouar BenaliTeam Lead, High Performance Elctronic Structure Theory, Qubit PharmaceuticalsVerified email at anl.gov
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 BarcaAssociate Professor, the University of MelbourneVerified email at unimelb.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
Jean-Louis RivailUniversité de LorraineVerified email at univ-lorraine.fr
Chantal DanielUniversité de Strasbourg-CNRSVerified email at unistra.fr
Davids AgboolaQueensland Health & University of QueenslandVerified email at health.qld.gov.au
Dario BressaniniResearch in 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	304	2018
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	192	2022
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	190	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	175	2020
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	173	2019
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	160	2019
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	150	2020
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	148	2017
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	144	2021
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	139	2021
Selected configuration interaction dressed by perturbation Y Garniron, A Scemama, E Giner, M Caffarel, PF Loos The Journal of Chemical Physics 149 (6), 2018	132	2018
Wiley Interdiscip PF Loos, PMW Gill Rev.: Comput. Mol. Sci 6, 410, 2016	122	2016
Two electrons on a hypersphere: a quasiexactly solvable model PF Loos, PMW Gill Physical review letters 103 (12), 123008, 2009	117	2009
The uniform electron gas PF Loos, PMW Gill Wiley Interdisciplinary Reviews: Computational Molecular Science 6 (4), 410-429, 2016	111	2016
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	95	2021
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	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	85	2010
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	76	2019
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	70	2018
Exact wave functions of two-electron quantum rings PF Loos, PMW Gill Physical Review Letters 108 (8), 083002, 2012	70	2012

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