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"citationFull_s":"Irimiea C., Faccinetto A., Mercier X., Ortega I.-K., Nuns N., et al.. Laboratory flames under investigation: finding trends in soot nucleation and growth when secondary ion mass spectrometry meets statistical analysis. <i>European Aerosol Conference 2019</i>, Aug 2019, Göteborg, Sweden. <a target=\"_blank\" href=\"https://hal.science/hal-04530531v1\">⟨hal-04530531⟩</a>",
"title_s":["Laboratory flames under investigation: finding trends in soot nucleation and growth when secondary ion mass spectrometry meets statistical analysis"],
"authFullName_s":["Irimiea C.","Faccinetto A.","Mercier X.","Ortega I.-K.","Nuns N.","Therssen E.","Desgroux P.","Focsa C."],
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"title_s":["Optical properties of soot particles emitted by standard and alternative aviation fuels"],
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"title_s":["Spin-orbit coupling from a two-component self-consistent approach. I. Generalized Hartree-Fock theory"],
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"title_s":["The Intricate Dynamics of the Si(<sup>3</sup>P) + OH(X<sup>2</sup>Π) Reaction"],
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"title_s":["Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations"],
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"title_s":["Dynamical thermal dose models and dose time-profile effects"],
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"title_s":["Relativistic equation of motion coupled cluster based on four-compoment Hamiltonians","Methods based on the coupled cluster ansatz and employing four-component Hamiltonians are particularly appealing in treating the electronic structure of molecules containing heavy centers, due to their ecient treatment of electron correlation and spin-orbit coupling (SOC) [1] on the same footing, up to and including the superheavy elements, as well as to serve as benchmark to more approximate relativistic Hamiltonians, notably those where SOC is treated more approximately (see for instance [2] and references therein).In this contribution we discuss our recent implementation [3] in the Dirac program [4] of the equation of motion coupled cluster method for excitation energies (EOM-EE-CCSD), single electron attachment (EOM-EA-CCSD) and single electron detachment (EOM-IPCCSD). We showcase the method by addressing the determination of the low-lying statesof oxide radicals of group 17 elements (XO, X = Cl, Br, I, At, Ts), the excited and ionized states of the PuO<sub>2</sub> molecule in the gas phase [5], as well as the ionization energies of halide ions in water droplets [6]. In the latter case, we use the frozen density embedding approach to combine EOM-IP-CCSD (for the halogens) and the SAOP model potential (for the water molecules) to determine the ionization energies for the complete halide droplet system, while sampling different nuclear configurations with snapshots obtained from classical molecular dynamics simulations with polarizable force fields [7].This work has been supported by the French national agency for research, contract ANR-11-LABX-0005 chemical and physical properties of the atmosphere (CaPPA).<b>References</b>1. T. Fleig, Chem. Phys., 2 (2012) 395 ; T. Saue, ChemPhysChem, 12 (2011) 30772. E. Epifanovsky et al, J. Phys. Chem., 143 (2015) 064102 ; Z. Cao, Z. Li, F. Wang,W. Liu, Phys. Chem. Chem. Phys., 19 (2017) 3713 ; L. Cheng, F. Wang, J. F. Stanton,J. Gauss, J. Phys. Chem., 148 (2018) 0441083. A. Shee, T. Saue, L. Visscher, A. S. P. Gomes, J. Phys. Chem., 149 (2018) 1741134. http://diracprogram.org5. S. Kervazo, F. Real, F. Virot, A. S. P. Gomes, V. Vallet arXiv:1906.03157 (2019)6. Y. Bouchafra, A. Shee, F. Real, V. Vallet, A. S. P. Gomes Phys. Rev. Lett., 121 (2018)2660017. F. Real et al, J. Chem. Phys., 144, (2016) 124513"],
"authFullName_s":["Yassine Bouchafra","Loïc Halbert","Florent Réal","Valérie Vallet","François Virot","Avijit Shee","Trond Saue","Lucas Visscher","André Severo Pereira Gomes"],
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"title_s":["Modélisation moléculaire pour les radioéléments de la phase gazeuse à la phase solvatée"],
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"title_s":["Modélisation réaliste de la spectroscopie électronique du Pa(IV) en solution aqueuse"],
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"title_s":["Single-mode operation with no mode-hops of a 110m long Brillouin fiber laser with non-resonant pumping"],
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"title_s":["Impact of higher-order dispersion on geometric parametric instability in GRIN multimode fibers"],
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"citationFull_s":"Abdelkrim Bendahmane, Gang Xu, Matteo Conforti, Alexandre Kudlinski, Arnaud Mussot, et al.. Dynamics of photon fluid flows driven by optical pistons. <i>CLEO Europe-ECQE</i>, Jun 2019, Munich, Germany. <a target=\"_blank\" href=\"https://hal.science/hal-02392829v1\">⟨hal-02392829⟩</a>",
"title_s":["Dynamics of photon fluid flows driven by optical pistons"],
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"title_s":["Single-Shot Time-Resolved Phase and Intensity Measurement of Breathers in the Nonlinear Stage of Modulation Instability"],
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"citationFull_s":"Florent Bessin, Corentin Naveau, Matteo Conforti, Pascal Szriftgiser, Alexandre Kudlinski, et al.. Phase and power experimental study of seeded modulation instability in passive fiber ring cavities. <i>CLEO Europe-EQEC</i>, Jun 2019, Munich, Germany. <a target=\"_blank\" href=\"https://hal.science/hal-02392770v1\">⟨hal-02392770⟩</a>",
"title_s":["Phase and power experimental study of seeded modulation instability in passive fiber ring cavities"],
"authFullName_s":["Florent Bessin","Corentin Naveau","Matteo Conforti","Pascal Szriftgiser","Alexandre Kudlinski","Arnaud Mussot"],
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"title_s":["Brillouin assisted optoelectronic self-narrowing of laser linewidth"],
"authFullName_s":["Gwennaël Danion","Marc Vallet","Ludovic Frein","Pascal Szriftgiser","Mehdi Alouini"],
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"citationFull_s":"Cyril Billet, A Tikan, G El, A Tovbis, M Bertola, et al.. Universal peregrine soliton structure in optical fibre soliton compression. <i>Conference on Lasers and Electro-Optics/Europe and the European Quantum Electronics Conference</i>, Jun 2019, Munich, Germany. <a target=\"_blank\" href=\"https://hal.science/hal-02392686v1\">⟨hal-02392686⟩</a>",
"title_s":["Universal peregrine soliton structure in optical fibre soliton compression"],
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"citationFull_s":"Corentin Naveau, Pascal Szriftgiser, Alexandre Kudlinski, Matteo Conforti, Stefano Trillo, et al.. Experimental validation in optical fibers of multiple Fermi-Pasta-Ulam-Tsingou recurrences theory. <i>CLEO Europe-ECQE</i>, Jun 2019, Munich, Germany. <a target=\"_blank\" href=\"https://hal.science/hal-02392851v1\">⟨hal-02392851⟩</a>",
"title_s":["Experimental validation in optical fibers of multiple Fermi-Pasta-Ulam-Tsingou recurrences theory"],
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