21 results on '"Dusson, Geneviève"'
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2. An overview of a posteriori error estimation and post-processing methods for nonlinear eigenvalue problems
3. Polynomial approximation of symmetric functions
4. On basis set optimisation in quantum chemistry
5. Practical Error Bounds for Properties in Plane-Wave Electronic Structure Calculations
6. Analysis of the Feshbach–Schur method for the Fourier spectral discretizations of Schrödinger operators
7. Equivariant analytical mapping of first principles Hamiltonians to accurate and transferable materials models
8. Atomic cluster expansion: Completeness, efficiency and stability
9. An Adaptive Planewave Method for Electronic Structure Calculations
10. Grassmann Extrapolation of Density Matrices for Born–Oppenheimer Molecular Dynamics
11. Atomic permutationally invariant polynomials for fitting molecular force fields
12. Post-processing of the plane-wave approximation of Schrödinger equations. Part II: Kohn–Sham models
13. Post-processing of the planewave approximation of Schrödinger equations. Part I: linear operators
14. Guaranteed a posteriori bounds for eigenvalues and eigenvectors: Multiplicities and clusters
15. Regularised atomic body-ordered permutation-invariant polynomials for the construction of interatomic potentials
16. Guaranteed and robust a posteriori bounds for Laplace eigenvalues and eigenvectors: a unified framework
17. Discretization error cancellation in electronic structure calculation: toward a quantitative study
18. Guaranteed and Robust a Posteriori Bounds for Laplace Eigenvalues and Eigenvectors: Conforming Approximations
19. Aposteriorianalysis of a nonlinear Gross–Pitaevskii-type eigenvalue problem
20. A perturbation-method-based post-processing for the planewave discretization of Kohn–Sham models
21. A perturbation-method-based a posteriori estimator for the planewave discretization of nonlinear Schrödinger equations
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