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Disambiguation of "Dusson, Geneviève"

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A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular Dynamics

, , , , , and . The Journal of Physical Chemistry Letters, (October 2023)
DOI: 10.1021/acs.jpclett.3c02098

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Other publications of authors with the same name

Analysis of the Feshbach–Schur method for the Fourier spectral discretizations of Schrödinger operators, , and . Mathematics of Computation, 92 (339): 217--249 (September 2022)Practical error bounds for properties in plane-wave electronic structure calculations, , , and . SIAM Journal on Scientific Computing, (October 2022)A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics, , , , , and . The journal of physical chemistry letters, 14 (43): 9720-9726 (2023)A Quasi Time-Reversible scheme based on density matrix extrapolation on the Grassmann manifold for Born-Oppenheimer Molecular Dynamics, , , , , and . (2023)A perturbation-method-based post-processing for the planewave discretization of Kohn-Sham models, , , , and . J. Comput. Physics, (2016)A multipoint perturbation formula for eigenvalue problems, , and . Preprint, (2023)Replication Data for: Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals, , , , , and . Software, (2024)Related to: A. Bordignon, E. Cancès, G. Dusson, G.Kemlin, R.A. Lainez Reyes, B. Stamm, Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals, preprint.Fully guaranteed and computable error bounds on the energy for periodic Kohn-Sham equations with convex density functionals, , , , , and . (2025)Approximation of Potential Energy Surfaces with Spherical Harmonics., , , , , and . CoRR, (2019)Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework., , , , and . Numerische Mathematik, 140 (4): 1033-1079 (2018)