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Antoine Levitt



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A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry

Tommaso Nottoli , Ivan Giannı̀ , Antoine Levitt , Filippo Lipparini
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, inPress
Journal articles hal-04094087v1

A robust and efficient line search for self-consistent field iterations

Michael F. Herbst , Antoine Levitt
Journal of Computational Physics, 2022, 459, ⟨10.1016/⟩
Journal articles hal-03359244v1
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Photoionization and core resonances from range-separated time-dependent density-functional theory for open-shell states: Example of the lithium atom

Julien Toulouse , Karno Schwinn , Felipe Zapata , Antoine Levitt , Éric Cancès
Journal of Chemical Physics, 2022, 157 (24), pp.244104. ⟨10.1063/5.0134645⟩
Journal articles hal-03849878v1
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Finite-size effects in response functions of molecular systems

Mi-Song Dupuy , Antoine Levitt
SMAI Journal of Computational Mathematics, 2022, 8, pp.273-294. ⟨10.5802/smai-jcm.87⟩
Journal articles hal-03145143v2

Hypocoercivity with Schur complements

Etienne Bernard , Max Fathi , Antoine Levitt , Gabriel Stoltz
Annales Henri Lebesgue, 2022, 5, pp.523-557. ⟨10.5802/ahl.129⟩
Journal articles hal-03033217v1
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Photoionization and core resonances from range-separated density-functional theory: General formalism and example of the beryllium atom

Karno Schwinn , Felipe Zapata , Antoine Levitt , Eric Cancès , Eleonora Luppi
Journal of Chemical Physics, 2022, 156 (22), pp.224106. ⟨10.1063/5.0091073⟩
Journal articles hal-03605574v2

Ab initio Canonical Sampling based on Variational Inference

Alois Castellano , Francois Bottin , Johann Bouchet , Antoine Levitt , Gabriel Stoltz
Physical Review B, 2022, 106 (16), pp.L161110. ⟨10.1103/PhysRevB.106.L161110⟩
Journal articles hal-03826195v1
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Practical error bounds for properties in plane-wave electronic structure calculations

Eric Cancès , Geneviève Dusson , Gaspard Kemlin , Antoine Levitt
SIAM Journal on Scientific Computing, 2022, 44 (5), ⟨10.1137/21M1456224⟩
Journal articles hal-03408321v2
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Convergence analysis of direct minimization and self-consistent iterations

Eric Cancès , Gaspard Kemlin , Antoine Levitt
SIAM Journal on Matrix Analysis and Applications, 2021, 42 (1), 243-274 (32 p.). ⟨10.1137/20M1332864⟩
Journal articles hal-02546060v2
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Coherent electronic transport in periodic crystals

Eric Cancès , Clotilde Fermanian Kammerer , Antoine Levitt , Sami Siraj-Dine
Annales Henri Poincaré, 2021, 22, pp.2643-2690. ⟨10.1007/s00023-021-01026-3⟩
Journal articles hal-02468564v2
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Screening in the finite-temperature reduced Hartree-Fock model

Antoine Levitt
Archive for Rational Mechanics and Analysis, 2020, 238 (2), pp.901-927. ⟨10.1007/s00205-020-01560-0⟩
Journal articles hal-01889411v2

Numerical quadrature in the Brillouin zone for periodic Schrödinger operators

Eric Cancès , Virginie Ehrlacher , David Gontier , Antoine Levitt , Damiano Lombardi
Numerische Mathematik, 2020, 144, pp.479-526. ⟨10.1007/s00211-019-01096-w⟩
Journal articles hal-01796582v1

A posteriori error estimation for the non-self-consistent Kohn-Sham equations

Michael F. Herbst , Antoine Levitt , Eric Cancès
Faraday Discussions, 2020, 224, pp.227-246. ⟨10.1039/D0FD00048E⟩
Journal articles hal-02557871v1

Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theory

Michael F. Herbst , Antoine Levitt
Journal of Physics: Condensed Matter, 2020, 33 (8), ⟨10.1088/1361-648X/abcbdb⟩
Journal articles hal-02929951v1

Variational formulation for Wannier functions with entangled band structure

Anil Damle , Antoine Levitt , Lin Lin
Multiscale Modeling and Simulation: A SIAM Interdisciplinary Journal, 2019, 17 (1), pp.167-191. ⟨10.1137/18M1167164⟩
Journal articles hal-01696529v1
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Numerical construction of Wannier functions through homotopy

David Gontier , Antoine Levitt , Sami Siraj-Dine
Journal of Mathematical Physics, 2019, 60, pp.031901. ⟨10.1063/1.5085753⟩
Journal articles hal-01955842v1

Localised Wannier functions in metallic systems

Horia D. Cornean , David Gontier , Antoine Levitt , Domenico Monaco
Annales Henri Poincaré, 2019, 20 (4), pp.1367-1391. ⟨10.1007/s00023-019-00767-6⟩
Journal articles hal-01671848v1
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Truncated Conjugate Gradient (TCG): an optimal strategy for the analytical evaluation of the many-body polarization energy and forces in molecular simulations

Félix Aviat , Antoine Levitt , Benjamin Stamm , Yvon Maday , Pengyu Ren
Journal of Chemical Theory and Computation, 2017, 13 (1), pp.180-190. ⟨10.1021/acs.jctc.6b00981⟩
Journal articles hal-01395833v4
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Efficient spectral computation of the stationary states of rotating Bose-Einstein condensates by the preconditioned nonlinear conjugate gradient method

Xavier Antoine , Antoine Levitt , Qinglin Tang
Journal of Computational Physics, 2017, 343, pp.92-109. ⟨10.1016/⟩
Journal articles hal-01393094v1
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Convergence and Cycling in Walker-type Saddle Search Algorithms

Antoine Levitt , Christoph Ortner
SIAM Journal on Numerical Analysis, 2017, ⟨10.1137/16M1087199⟩
Journal articles hal-01350514v1

Robust determination of maximally-localized Wannier functions

Eric Cancès , Antoine Levitt , Gianluca Panati , Gabriel Stoltz
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 95, ⟨10.1103/PhysRevB.95.075114⟩
Journal articles hal-01323700v1
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Parallel eigensolvers in plane-wave Density Functional Theory

Antoine Levitt , Marc Torrent
Computer Physics Communications, 2015, 187, pp.98-105. ⟨10.1016/j.cpc.2014.10.015⟩
Journal articles hal-01323703v1
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Solutions of the multiconfiguration Dirac-Fock equations

Antoine Levitt
Reviews in Mathematical Physics, 2014, Accepté pour publication
Journal articles hal-00823185v3
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Convergence of gradient-based algorithms for the Hartree-Fock equations

Antoine Levitt
ESAIM: Mathematical Modelling and Numerical Analysis, 2012, 46 (06), pp.1321-1336. ⟨10.1051/m2an/2012008⟩
Journal articles hal-00626060v2
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Continuation of discrete breathers from infinity in a nonlinear model for DNA breathing

Guillaume James , Antoine Levitt , Cynthia Ferreira
Applicable Analysis, 2010, Mathematics of Nonlinear Lattices, 89 (9), pp.1447-1465. ⟨10.1080/00036810903437788⟩
Journal articles hal-00765599v1

Discrete breathers in a nonlinear model for DNA breathing

Guillaume James , Antoine Levitt , Cynthia Ferreira
Applicable Analysis, 2009, pp.article soumis
Journal articles hal-00396520v1
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Mathematical and numerical analysis of models of condensed-matter physics

Antoine Levitt
Analysis of PDEs [math.AP]. Université Paris-Est, 2020
Habilitation à diriger des recherches tel-03434517v1