Mi-Song Dupuy

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Publications

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A posteriori error estimates for Schrödinger operators discretized with linear combinations of atomic orbitals

Mi-Song Dupuy , Geneviève Dusson , Ioanna-Maria Lygatsika

SIAM Journal on Numerical Analysis, 2025, 63 (6), pp.2395-2420. ⟨10.1137/24M1700697⟩

Article dans une revue hal-04723742v3
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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⟩

Article dans une revue hal-03145143v2
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Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations

Maxime Chupin , Mi-Song Dupuy , Guillaume Legendre , Eric Séré

ESAIM: Mathematical Modelling and Numerical Analysis, 2021, 55 (6), pp.2785 - 2825. ⟨10.1051/m2an/2021069⟩

Article dans une revue hal-02492983v5

Inversion Symmetry of Singular Values and a New Orbital Ordering Method in Tensor Train Approximations for Quantum Chemistry

Mi-Song Dupuy , Gero Friesecke

SIAM Journal on Scientific Computing, 2021, 43 (1), pp.B108-B131. ⟨10.1137/20M1320122⟩

Article dans une revue hal-03915703v1
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CC2 Benchmark for Models of Phenylalanine Protein Chains: 0–0 Transition Energies and IR Signatures of the ππ* Excited State

Mi-Song Dupuy , Eric Gloaguen , Benjamin Tardivel , Michel Mons , Valérie Brenner

Journal of Chemical Theory and Computation, 2020, 16 (1), pp.601-611. ⟨10.1021/acs.jctc.9b00923⟩

Article dans une revue hal-02451039v1
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Projector augmented-wave method: an analysis in a one-dimensional setting

Mi-Song Dupuy

ESAIM: Mathematical Modelling and Numerical Analysis, 2020, 54 (1), pp.25-58. ⟨10.1051/m2an/2019017⟩

Article dans une revue hal-02457937v1