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Taming the fixed-node error in diffusion Monte Carlo via range separation

Anthony Scemama , Emmanuel Giner , Anouar Benali , Pierre-Francois Loos
Journal of Chemical Physics, 2020, 15 (17), pp.174107. ⟨10.1063/5.0026324⟩
Journal articles hal-02921286v1
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Multistep Photochemical Reactions of Polypyridine-Based Ruthenium Nitrosyl Complexes in Dimethylsulfoxide

Nataliia Marchenko , Pascal G. Lacroix , Valerii Bukhanko , Marine Tassé , Carine Guyard-Duhayon , et al.
Molecules, 2020, 25 (9), pp.2205. ⟨10.3390/molecules25092205⟩
Journal articles hal-02611130v1
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Chemoselective reduction of quinoline over Rh-C 60 nanocatalysts

Zhishan Luo , Yuanyuan Min , Wolfgang Bacsa , Divya Nechiyil , Yann Tison , et al.
Catalysis Science & Technology, 2019, 9 (24), pp.6884-6898. ⟨10.1039/C9CY02025J⟩
Journal articles hal-02345433v1
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Study of the optoelectronic properties of atomically thin WSe2

Marco Manca
Physics [physics]. INSA de Toulouse, 2019. English. ⟨NNT : 2019ISAT0030⟩
Theses tel-02879948v1
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Electron Diffraction of Pyrene Nanoclusters Embedded in Superfluid Helium Droplets

Lei Lei , Yuzhong Yao , Jie Zhang , Dale Tronrud , Wei Kong , et al.
Journal of Physical Chemistry Letters, 2020, 11 (3), pp.724-729. ⟨10.1021/acs.jpclett.9b03603⟩
Journal articles hal-02516776v1
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Evidencing the relationship between isomer spectra and melting: the 20- and 55-atom silver and gold cluster cases

Mathias Rapacioli , Fernand Spiegelman , Nathalie Tarrat
Physical Chemistry Chemical Physics, 2019, 21 (45), pp.24857-24866. ⟨10.1039/C9CP03897C⟩
Journal articles hal-02326863v1
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Exciton valley depolarization in monolayer transition-metal dichalcogenides

Min Yang , Cédric Robert , Zhengguang Lu , Dinh van Tuan , Dmitry Smirnov , et al.
Physical Review B, 2020, 101 (11), ⟨10.1103/PhysRevB.101.115307⟩
Journal articles hal-03089585v1
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Développement d'une source de condensats de Bose-Einstein pour l'interférométrie atomique

Maxime Bordoux
Physique [physics]. Université Toulouse III - Paul Sabatier, 2019. Français. ⟨NNT : ⟩
Theses tel-03131437v1
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Magnetization Density Distribution of Sr 2 IrO 4 : Deviation from a Local jeff = 1 / 2 Picture

Jaehong Jeong , Benjamin Lenz , Arsen Gukasov , Xavier Fabrèges , Andrew Sazonov , et al.
Physical Review Letters, 2020, 125 (9), pp.097202. ⟨10.1103/PhysRevLett.125.097202⟩
Journal articles hal-03086953v1
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From soft chemistry to 2D and 3D nanowire arrays with hard magnetic properties and permanent magnet applications

Katerina Soulantica , Thomas Blon , Bruno Chaudret , Lise-Marie Lacroix , G. Viau , et al.
Magnetic Nano- and Microwires, Elsevier; Elsevier; Elsevier, pp.185-219, 2020, ⟨10.1016/B978-0-08-102832-2.00007-4⟩
Book sections hal-03044536v1
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Multi-cultural Wikipedia mining of geopolitics interactions leveraging reduced Google matrix analysis

Klaus M. Frahm , Samer El Zant , Katia Jaffrès-Runser , Dima Shepelyansky
Physics Letters A, 2017, 381 (33), pp.2677-2685. ⟨10.1016/j.physleta.2017.06.021⟩
Journal articles hal-01422586v1
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Functionals, Integrals, Spheres & Cusps

Pierre-Francois Loos
Theoretical and/or physical chemistry. Universite Toulouse III Paul Sabatier, 2018
Habilitation à diriger des recherches tel-01693552v1
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Optical properties of periodic systems within the current-current response framework: pitfalls and remedies

Davide Sangalli , Arjan Berger , Claudio Attaccalite , Myrta Gruning , Pina Romaniello
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 95 (15), pp.155203. ⟨10.1103/PhysRevB.95.155203⟩
Journal articles hal-01444894v1
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Joint measurability of quantum effects and the matrix diamond

Andreas Bluhm , Ion Nechita
Journal of Mathematical Physics, 2018, 59 (11), pp.112202. ⟨10.1063/1.5049125⟩
Journal articles hal-01955274v1
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Phenylacetylene and Carbon Dioxide Activation by an Organometallic Samarium Complex

Violaine Goudy , Mathieu Xemard , Simon Karleskind , Marie Cordier , Carlos A. Lamsfus , et al.
Inorganics, 2018, 6 (3), pp.82. ⟨10.3390/inorganics6030082⟩
Journal articles hal-01999468v1
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New study of the line profiles of sodium perturbed by H 2

Nicole F. Allard , Fernand Spiegelman , Thierry Leininger , P. Molliere
Astronomy and Astrophysics - A&A, 2019, 628 (A120), pp.8. ⟨10.1051/0004-6361/201935593⟩
Journal articles hal-02282079v1
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On symmetric decompositions of positive operators

Maria Anastasia Jivulescu , Ion Nechita , Gavruta Pasc
Journal of Physics A: Mathematical and Theoretical, 2017, 50 (16), pp.165303. ⟨10.1088/1751-8121/aa6469⟩
Journal articles hal-01527399v1
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Resolving the Framework Position of Organic Structure-Directing Agents in Hierarchical Zeolites via Polarized Stimulated Raman Scattering

Guillaume Fleury , Julian Steele , I.C. Gerber , Franck Jolibois , Pascal Puech , et al.
Journal of Physical Chemistry Letters, 2018, 9 (7), pp.1778-1782. ⟨10.1021/acs.jpclett.8b00399⟩
Journal articles hal-01868390v1
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Design, Modeling, Fabrication, Characterization and Applications of very Wideband Semiconductor Optical Amplifiers

Agnes Verdier
Optics [physics.optics]. INSA de Toulouse, 2018. English. ⟨NNT : 2018ISAT0051⟩
Theses tel-03578670v1
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Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory

Nanna Holmgaard List , Timothé R.L. Melin , Martin van Horn , Trond Saue
Journal of Chemical Physics, 2020, 152 (18), pp.184110. ⟨10.1063/5.0003103⟩
Journal articles hal-02899747v1
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Development of confocal microscope for polarimetry of semiconductor nano-structures

Meryem Benelajla
Physics [physics]. INSA de Toulouse, 2020. English. ⟨NNT : 2020ISAT0028⟩
Theses tel-03471441v1
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A gas aggregation source for the production of heterogeneous molecular clusters

Isabelle Braud , Sébastien Zamith , Jean-Marc L'Hermite
Review of Scientific Instruments, 2017, 88 (4), pp.043102. ⟨10.1063/1.4979639⟩
Journal articles hal-01504602v1
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Understanding the Multiconfigurational Ground and Excited States in Lanthanide Tetrakis Bipyridine Complexes from Experimental and CASSCF Computational Studies

Robert Halbach , Grégory Nocton , Jorge Amaro-Estrada , Laurent Maron , Corwin A Booth , et al.
Inorganic Chemistry, 2019, 58 (18), pp.12083-12098. ⟨10.1021/acs.inorgchem.9b01393⟩
Journal articles hal-02289195v1
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Plasmonic photocapacitance of self-assembled gold colloidal nanoparticle monolayers

H. Nesser , J. Grisolia , Adnen Mlayah , T. Alnasser , D. Lagarde , et al.
Materials Today Nano, 2018, 4, pp.38 - 45. ⟨10.1016/j.mtnano.2018.12.001⟩
Journal articles hal-03486581v1
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Chemical Physics Visualising the role of non-perturbative environment dynamics in the dissipative generation of coherent electronic motion

Alex W. Chin , E. Mangaud , V Chevet , O. Atabek , M. Desouter-Lecomte
Chemical Physics, 2019, ⟨10.1016/j.chemphys.2019.110392⟩
Journal articles hal-02407822v1
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New predictions from the logotropic model

Pierre-Henri Chavanis
Phys.Dark Univ., 2019, 24, pp.100271. ⟨10.1016/j.dark.2019.100271⟩
Journal articles hal-01921690v1
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Dynamics and disorder in quantum antiferromagnets

Maxime Dupont
Condensed Matter [cond-mat]. Université Paul Sabatier - Toulouse III, 2018. English. ⟨NNT : 2018TOU30092⟩
Theses tel-01946267v2
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Vers la stabilisation d'un interféromètre atomique contre les vibrations : le pendule à lame élastique et son amortissement

Gilles Dolfo
Génie mécanique [physics.class-ph]. Université Paul Sabatier - Toulouse III, 2018. Français. ⟨NNT : 2018TOU30193⟩
Theses tel-02325381v1
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Complete Active Space Wavefunction-Based Analysis of Magnetization and Electronic Structure

Frédéric Gendron , Hélène Bolvin , Jochen Autschbach
Organometallic Magnets, 64, pp.355-390, 2019, Topics in Organometallic Chemistry, 978-3-030-26008-8. ⟨10.1007/3418_2018_6⟩
Book sections hal-02390719v1
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Carboxylic acid-capped ruthenium nanoparticles: experimental and theoretical case study with ethanoic acid

Roberto Gonzalez-Gomez , Lucy Cusinato , Christian Bijani , Yannick Coppel , Pierre Lecante , et al.
Nanoscale, 2019, 11 (19), pp.9392-9409. ⟨10.1039/c9nr00391f⟩
Journal articles hal-02131929v1