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Taming the fixed-node error in diffusion Monte Carlo via range separation
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,
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,
Anouar Benali
,
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hal-02921286v1
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Multistep Photochemical Reactions of Polypyridine-Based Ruthenium Nitrosyl Complexes in Dimethylsulfoxide
Nataliia Marchenko
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Marine Tassé
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Carine Guyard-Duhayon
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et al.
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hal-02611130v1
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Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI 2
Arnaud Jaoul
,
Yan Yang
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Nicolas Casaretto
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Carine Clavaguéra
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Laurent Maron
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et al.
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hal-02941564v1
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Electron Diffraction of Pyrene Nanoclusters Embedded in Superfluid Helium Droplets
Lei Lei
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Yuzhong Yao
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Jie Zhang
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Dale Tronrud
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Wei Kong
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et al.
Journal articles
hal-02516776v1
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Exciton valley depolarization in monolayer transition-metal dichalcogenides
Min Yang
,
Cédric Robert
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Zhengguang Lu
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Dinh van Tuan
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Dmitry Smirnov
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et al.
Journal articles
hal-03089585v1
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Magnetization Density Distribution of Sr 2 IrO 4 : Deviation from a Local jeff = 1 / 2 Picture
Jaehong Jeong
,
Benjamin Lenz
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Arsen Gukasov
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Xavier Fabrèges
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Andrew Sazonov
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et al.
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
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Thomas Blon
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Bruno Chaudret
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Lise-Marie Lacroix
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G. Viau
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et al.
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hal-03044536v1
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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 articles
hal-02899747v1
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Façonnage d'ondes de matière dans un réseau optique dépendant du temps : du chaos quantique au contrôle quantique
Gabriel Chatelain
Gaz Quantiques [cond-mat.quant-gas]. Université Toulouse 3 - Paul Sabatier, 2021. Français. ⟨NNT : ⟩
Theses
tel-03711955v1
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Development of confocal microscope for polarimetry of semiconductor nano-structures
Meryem Benelajla
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tel-03471441v1
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Relating circular dichroism to atomic structure by means of MD simulations and computed CD spectra with α-peptoids as an example
Nicholus Bhattacharjee
,
Lionel Perrin
,
Franck Jolibois
Journal articles
hal-03006401v1
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The joint distribution of the marginals of multipartite random quantum states
Stephane Dartois
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Luca Lionni
,
Ion Nechita
Journal articles
hal-02955388v1
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Variational principles in quantum Monte Carlo: the troubled story of variance minimization
Alice Cuzzocrea
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Anthony Scemama
,
Wim J Briels
,
Saverio Moroni
,
Claudia Filippi
Journal articles
hal-02485688v1
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Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Exotic Molecules and Radicals
Pierre-Francois Loos
,
Anthony Scemama
,
Martial Boggio-Pasqua
,
Denis Jacquemin
Journal articles
hal-03011529v1
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Thermoelectricity Modeling with Cold Dipole Atoms in Aubry Phase of Optical Lattice
Oleg Zhirov
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José Lages
,
Dima Shepelyansky
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hal-02513466v1
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Selective hydrogenation of cinnamaldehyde by unsupported and few layer graphene supported platinum concave nanocubes exposing {110} facets stabilized by a long-chain amine
Laurent Peres
,
M. Rosa Axet
,
Deliang Yi
,
Philippe Serp
,
Aikaterini Soulantika
Journal articles
hal-02325841v1
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Electrical detection of light helicity using a quantum-dot-based hybrid device at zero magnetic field
F Cadiz
,
D Lagarde
,
B Tao
,
J Frougier
,
B Xu
,
et al.
Journal articles
hal-03417725v1
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Early Relaxation Dynamics in the Photoswitchable Complex trans‐[RuCl(NO)(py)4]2+
Francesco Talotta
,
Martial Boggio-Pasqua
,
Leticia González
Journal articles
hal-02961091v1
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Recent progress in ligand photorelease reaction mechanisms: Theoretical insights focusing on Ru(II) 3MC states
Adrien Soupart
,
Fabienne Alary
,
Jean-Louis Heully
,
Paul I Elliott
,
Isabelle M. Dixon
Journal articles
hal-02534402v1
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Collective intelligence defines biological functions in Wikipedia as communities in the hidden protein connection network
Andrei Zinovyev
,
Urszula Czerwinska
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Laura Cantini
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Emmanuel Barillot
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Klaus M. Frahm
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et al.
Journal articles
hal-02114063v1
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Synthesis and Characterization of the Thermoelectric Nickel Tetrathiooxalate Polymer as Nanoparticles
C. Faulmann
,
Benoit Cormary
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Dominique de Caro
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Kane Jacob
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Lydie Valade
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et al.
Journal articles
hal-02626512v1
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Absolute measurements of the double differential electronic emission cross-sections of isolated pyrene molecule (C16H10) in interaction with keV protons
Mingchao Ji
,
Patrick Moretto-Capelle
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Julie Renoud
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Laurent Polizzi
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Stéphane Faure
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et al.
Journal articles
hal-03001653v1
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Interaction of hydantoin with solar wind minority ions: O6+ and He2+
Julie Renoud
,
Suvasthika Indrajith
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Alicja Domaracka
,
Patrick Rousseau
,
Patrick Moretto-Capelle
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et al.
Journal articles
hal-02527292v1
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Threshold collision induced dissociation of pyrene cluster cations
Sébastien Zamith
,
Jean-Marc L'Hermite
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Léo Dontot
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Linjie Zheng
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Mathias Rapacioli
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et al.
Journal articles
hal-02915964v1
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Hydrogen spillover in the Fischer‐Tropsch synthesis on carbon‐supported cobalt catalysts
Amel Ghogia
,
Simon Cayez
,
Bruno F Machado
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Ange Nzihou
,
Philippe Serp
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et al.
Journal articles
hal-02397186v1
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A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules
Pierre-François Loos
,
Filippo Lipparini
,
Martial Boggio-Pasqua
,
Anthony Scemama
,
Denis Jacquemin
Journal articles
hal-02403471v1
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Engineering Iron-Nickel Nanoparticles for Magnetically-Induced CO2 Methanation in Continuous Flow
Déborah de Masi
,
Juan Manuel Asensio
,
Pier-Francesco Fazzini
,
Lise-Marie Lacroix
,
Bruno Chaudret
Journal articles
hal-02454700v1
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Ultra-Stable Magnetic Nanoparticles Encapsulated in Carbon for Magnetically Induced Catalysis
Luis Miguel Martinez-Pietro
,
Julien Marbaix
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Juan Manuel Asensio
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Christian Cerezo-Navarrete
,
Pier-Francesco Fazzini
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et al.
Journal articles
hal-02882916v1
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A Density-Based Basis-Set Incompleteness Correction for GW Methods
Pierre-François Loos
,
Barthélémy Pradines
,
Anthony Scemama
,
Emmanuel Giner
,
Julien Toulouse
Journal articles
hal-02346969v1
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Étude numérique de la formation de domaines dans les biomembranes : des vésicules biphasiques aux récepteurs viraux.
Julie Cornet
Physique [physics]. Université Toulouse III - Paul Sabatier, 2020. Français. ⟨NNT : ⟩
Theses
tel-03348187v1
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