FS
Fernand Spiegelman
physics.chem-phphysics.atm-clusastro-ph.SRastro-ph.EPastro-phcond-mat.mtrl-sciclusterscond-mat.stat-mechDFTBelectronic structure
On Valency
published · living versionsW_zhy7xb93·v1 · currentpublished
K-H_2 Quasi-molecular absorption detected in the T-dwarf epsilon Indi Ba
with France Allard, Nicole F. Allard, Derek Homeier, John Kielkopf +1
1 version
Preprints & journals
66 papers in the corpus · 2002–2025Adsorption of Silver Clusters on Naphthalene: Theoretical Insights into Structural, Energetic, Electronic, and Infrared Properties.40251129 · Dahmani, Rahma, Alauzet, Camille, Di Genova, Gabriella et al.2025 · 0 citationsThe journal of physical chemistry. A. 2025;129(17):3829-3843
Near-infrared absorption and radiative cooling of naphthalene dimers (C10H8)2.38949429 · Bernard, Jérôme, Martin, Serge, Al-Mogeeth, Abdulaziz et al.2024 · 3 citationsPhysical chemistry chemical physics : PCCP. 2024;26(27):18571-18583
Probing the electronic structure and ground state symmetry of gas phase C60+ via VUV photoionization and comparison with theory.38666575 · Hrodmarsson, Helgi Rafn, Rapacioli, Mathias, Spiegelman, Fernand et al.2024 · 5 citationsThe Journal of chemical physics. 2024;160(16)
Electronic effects in the dissociative ionisation of pyrene clusters.36722859 · Garcia, Gustavo A, Dontot, Léo, Rapacioli, Mathias et al.2023 · 9 citationsPhysical chemistry chemical physics : PCCP. 2023;25(6):4501-4510
Collision-induced satellite in the blue wing of the Balmer-beta line and consequences on the Balmer series2201.03294v1 · F. Spiegelman, N. F. Allard, J. F. Kielkopf2022 · 4 citationsarXiv
Collisional effects in the blue wing of the Balmer-alpha line2201.00878v1 · N.F. Allard, F. Spiegelman, J. F. Kielkopf et al.2022 · 4 citationsarXiv
Collisional effects in the blue wing of Lyman-alpha2106.00766v1 · F. Spiegelman, N.F. Allard, J.F. Kielkopf2021 · 3 citationsarXiv
Experimental and theoretical study of photo-dissociation spectroscopy of pyrene dimer radical cations stored in a compact electrostatic ion storage ring.33667290 · Bernard, J, Al-Mogeeth, A, Martin, S et al.2021 · 9 citationsPhysical chemistry chemical physics : PCCP. 2021;23(10):6017-6028
Dependence upon charge of the vibrational spectra of small Polycyclic Aromatic Hydrocarbon clusters: the example of pyrene.33597829 · Dontot, Léo, Spiegelman, Fernand, Zamith, Sébastien et al.2025 · 16 citationsThe European physical journal. D, Atomic, molecular, and optical physics. 2020;74(11)
Threshold collision induced dissociation of pyrene cluster cations.32770931 · Zamith, Sébastien, L'Hermite, Jean-Marc, Dontot, Léo et al.2024 · 16 citationsThe Journal of chemical physics. 2020;153(5):054311
A new set of atmosphere and evolution models for cool T-Y brown dwarfs and giant exoplanets2003.13717v1 · Mark W. Phillips, Pascal Tremblin, Isabelle Baraffe et al.2020 · 341 citationsA&A 637, A38 (2020)
Theoretical investigation of the electronic relaxation in highly excited chrysene and tetracene: The effect of armchair vs zigzag edge.32087654 · Posenitskiy, Evgeny, Rapacioli, Mathias, Lemoine, Didier et al.2020 · 8 citationsThe Journal of chemical physics. 2020;152(7):074306
Density-functional tight-binding: basic concepts and applications to molecules and clusters.33154977 · Spiegelman, Fernand, Tarrat, Nathalie, Cuny, Jérôme et al.2025 · 136 citationsAdvances in physics: X. 2020;5(1):1710252
Mass-Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of HO, Na, and K1912.04904v1 · Luis Welbanks, Nikku Madhusudhan, Nicole F. Allard et al.2019 · 228 citationsarXiv
Thermal evaporation of pyrene clusters.31757155 · Zamith, Sébastien, Ji, Ming-Chao, L'Hermite, Jean-Marc et al.2019 · 23 citationsThe Journal of chemical physics. 2019;151(19):194303
Structures and Energetics of Neutral and Cationic Pyrene Clusters.31589446 · Dontot, Léo, Spiegelman, Fernand, Rapacioli, Mathias2019 · 32 citationsThe journal of physical chemistry. A. 2019;123(44):9531-9543
Evidencing the relationship between isomer spectra and melting: the 20- and 55-atom silver and gold cluster cases.31539012 · Rapacioli, Mathias, Spiegelman, Fernand, Tarrat, Nathalie2019 · 8 citationsPhysical chemistry chemical physics : PCCP. 2019;21(45):24857-24866
New study of the line profiles of sodium perturbed by H21908.01989v1 · N.F. Allard, F. Spiegelman, T. Leininger et al.2019 · 143 citationsarXiv
Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenes.31143895 · Posenitskiy, Evgeny, Rapacioli, Mathias, Lepetit, Bruno et al.2019 · 27 citationsPhysical chemistry chemical physics : PCCP. 2019;21(23):12139-12149
Density-functional tight-binding approach for metal clusters, nanoparticles, surfaces and bulk: application to silver and gold.29916820 · Cuny, Jérôme, Tarrat, Nathalie, Spiegelman, Fernand et al.2026 · 40 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2018;30(30):303001
Au147 nanoparticles: Ordered or amorphous?29865846 · Tarrat, Nathalie, Rapacioli, Mathias, Spiegelman, Fernand2018 · 27 citationsThe Journal of chemical physics. 2018;148(20):204308
Melting of the Au20 Gold Cluster: Does Charge Matter?29569922 · Rapacioli, Mathias, Tarrat, Nathalie, Spiegelman, Fernand2018 · 17 citationsThe journal of physical chemistry. A. 2018;122(16):4092-4098
Molecular Dynamics Study of the Collision-Induced Reaction of H with CO on Small Water Clusters.29200298 · Korchagina, Kseniia A, Spiegelman, Fernand, Cuny, Jérôme2018 · 14 citationsThe journal of physical chemistry. A. 2017;121(49):9485-9494
Theoretical investigation of the solid-liquid phase transition in protonated water clusters.28967025 · Korchagina, Kseniia, Simon, Aude, Rapacioli, Mathias et al.2018 · 14 citationsPhysical chemistry chemical physics : PCCP. 2017;19(40):27288-27298
Size Effect in the Ionization Energy of PAH Clusters.28742357 · Joblin, C, Dontot, L, Garcia, G A et al.2018 · 63 citationsThe journal of physical chemistry letters. 2017;8(15):3697-3702
Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach.27809528 · Korchagina, Kseniia A, Simon, Aude, Rapacioli, Mathias et al.2018 · 13 citationsThe journal of physical chemistry. A. 2016;120(45):9089-9100
Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to Bulk.27735183 · Oliveira, Luiz F L, Tarrat, Nathalie, Cuny, Jérôme et al.2019 · 62 citationsThe journal of physical chemistry. A. 2016;120(42):8469-8483
An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clusters.26750534 · Dontot, Léo, Suaud, Nicolas, Rapacioli, Mathias et al.2016 · 25 citationsPhysical chemistry chemical physics : PCCP. 2016;18(5):3545-57
Cationic Methylene-Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies.26600076 · Rapacioli, Mathias, Simon, Aude, Marshall, Charlotte C M et al.2016 · 30 citationsThe journal of physical chemistry. A. 2015;119(51):12845-54
Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons.26067775 · Oliveira, Luiz Fernando L, Cuny, Jérôme, Morinière, Maxime et al.2015 · 34 citationsPhysical chemistry chemical physics : PCCP. 2015;17(26):17079-89
Water clusters in an argon matrix: infrared spectra from molecular dynamics simulations with a self-consistent charge density functional-based tight binding/force-field potential.25650885 · Simon, Aude, Iftner, Christophe, Mascetti, Joëlle et al.2015 · 21 citationsThe journal of physical chemistry. A. 2015;119(11):2449-67
Coupled electronic and structural relaxation pathways in the postexcitation dynamics of Rydberg states of BaArN clusters.25279627 · Masson, A, Heitz, M-C, Mestdagh, J-M et al.2015 · 18 citationsPhysical review letters. 2014;113(12):123005
A density functional tight binding/force field approach to the interaction of molecules with rare gas clusters: application to (C6H6)(+/0)Ar(n) clusters.25669373 · Iftner, Christophe, Simon, Aude, Korchagina, Kseniia et al.2015 · 19 citationsThe Journal of chemical physics. 2014;140(3):034301
Automatic Differentiation of the Energy within Self-consistent Tight-Binding Methods.26592385 · Gamboa, Antonio, Rapacioli, Mathias, Spiegelman, Fernand2015 · 1 citationJournal of chemical theory and computation. 2013;9(9):3900-7
Water clusters adsorbed on polycyclic aromatic hydrocarbons: energetics and conformational dynamics.23697420 · Simon, Aude, Spiegelman, Fernand2013 · 34 citationsThe Journal of chemical physics. 2013;138(19):194309
Theoretical investigations of the electronic states of NaXe: a comparative study.23249006 · Ben Salem, F, Ben El Hadj Rhouma, M, Spiegelman, F et al.2013 · 12 citationsThe Journal of chemical physics. 2012;137(22):224310
Vibrational spectroscopy and molecular dynamics of water monomers and dimers adsorbed on polycyclic aromatic hydrocarbons.22495405 · Simon, Aude, Rapacioli, Mathias, Mascetti, Joëlle et al.2016 · 40 citationsPhysical chemistry chemical physics : PCCP. 2012;14(19):6771-86
Diatomics-in-Molecules Modeling of Many-Body Effects on the Structure and Thermodynamics of Mercury Clusters.26596612 · Calvo, F, Pahl, E, Schwerdtfeger, P et al.2015 · 20 citationsJournal of chemical theory and computation. 2012;8(2):639-48
Molecular dynamics simulations on [FePAH]+ π-complexes of astrophysical interest: anharmonic infrared spectroscopy.21243160 · Simon, Aude, Rapacioli, Mathias, Lanza, Mathieu et al.2011 · 34 citationsPhysical chemistry chemical physics : PCCP. 2011;13(8):3359-74
Modeling Charge Resonance in Cationic Molecular Clusters: Combining DFT-Tight Binding with Configuration Interaction.26606217 · Rapacioli, Mathias, Spiegelman, Fernand, Scemama, Anthony et al.2015 · 57 citationsJournal of chemical theory and computation. 2011;7(1):44-55
A comprehensive theoretical investigation of the electronic states of Ca2 up to the Ca(4s(2) 1S) + Ca(4s5p 1P) dissociation limit.21033798 · Bouissou, Thomas, Durand, Gérard, Heitz, Marie-Catherine et al.2011 · 19 citationsThe Journal of chemical physics. 2010;133(16):164317
Dynamics of highly excited barium atoms deposited on large argon clusters. I. General trends.20707532 · Masson, A, Poisson, L, Gaveau, M-A et al.2010 · 37 citationsThe Journal of chemical physics. 2010;133(5):054307
Molecular dynamics simulations of anharmonic infrared spectra of [SiPAH](+) pi-complexes.20394399 · Joalland, B, Rapacioli, M, Simon, A et al.2010 · 41 citationsThe journal of physical chemistry. A. 2010;114(18):5846-54
Relaxation dynamics of photoexcited calcium deposited on argon clusters: theoretical simulation of time-resolved photoelectron spectra.20121073 · Heitz, Marie-Catherine, Teixidor, Laurent, Nguyen-Thi, Van-Oanh et al.2010 · 21 citationsThe journal of physical chemistry. A. 2010;114(9):3287-96
Accurate evaporation rates of pure and doped water clusters in vacuum: A statistico-dynamical approach.20095672 · Calvo, F, Douady, J, Spiegelman, F2010 · 11 citationsThe Journal of chemical physics. 2010;132(2):024305
Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: application to polycyclic aromatic hydrocarbon clusters.19566150 · Rapacioli, Mathias, Spiegelman, Fernand, Talbi, Dahbia et al.2009 · 101 citationsThe Journal of chemical physics. 2009;130(24):244304
Structure, stability, and infrared spectroscopy of (H2O)nNH4(+) clusters: a theoretical study at zero and finite temperature.19045191 · Douady, J, Calvo, F, Spiegelman, F2009 · 37 citationsThe Journal of chemical physics. 2008;129(15):154305
K-H_2 Quasi-molecular absorption detected in the T-dwarf epsilon Indi Ba0709.1192v1 · France Allard, Nicole F. Allard, Derek Homeier et al.2007 · 135 citationsarXivon Valency
Self-consistent field tight-binding model for neutral and (multi-) charged carbon clusters.17764233 · Montagnon, Laurent, Spiegelman, Fernand2007 · 15 citationsThe Journal of chemical physics. 2007;127(8):084111
Vibrations and thermodynamics of clusters of polycyclic aromatic hydrocarbon molecules: the role of internal modes.17394293 · Rapacioli, Mathias, Calvo, Florent, Joblin, Christine et al.2007 · 42 citationsThe journal of physical chemistry. A. 2007;111(16):2999-3009
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