On the regularity of the electronic Schrödinger equation in Hilbert spaces of mixed derivatives

DOI10.1007/S00211-003-0498-1zbMATH Open1062.35100OpenAlexW2070656880MaRDI QIDQ704789FDOQ704789

Authors: Harry Yserentant 

Publication date: 19 January 2005

Published in: Numerische Mathematik (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s00211-003-0498-1

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zbMATH Keywords

regularityapproximation methodsderivativesquantum chemistryCoulomb interactionwavefunctions

Mathematics Subject Classification ID

Multidimensional problems (41A63) Smoothness and regularity of solutions to PDEs (35B65) PDEs in connection with quantum mechanics (35Q40) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Electromagnetic interaction; quantum electrodynamics (81V10) Hilbert spaces of continuous, differentiable or analytic functions (46E20)

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Cited In (45)

• Interpolation based local postprocessing for adaptive finite element approximations in electronic structure calculations
• A cascadic adaptive finite element method for nonlinear eigenvalue problems in quantum physics
• Local and parallel multigrid method for nonlinear eigenvalue problems
• Sparse grid spaces for the numerical solution of the electronic Schrödinger equation
• Explicit Green operators for quantum mechanical Hamiltonians. II: Edge-type singularities of the helium atom
• Musings on multilinear fitting
• Sparse grids, adaptivity, and symmetry
• From atoms to crystals: a mathematical journey
• Rate-optimal sparse approximation of compact break-of-scale embeddings
• A sparse grid space-time discretization scheme for parabolic problems
• Multidimensional pseudo-spectral methods on lattice grids
• Convergence and optimal complexity of adaptive finite element eigenvalue computations
• Regularity and approximability of electronic wave functions
• The mixed regularity of electronic wave functions in fractional order and weighted Sobolev spaces
• BestN-term approximation in electronic structure calculations. II. Jastrow factors
• BestN-term approximation in electronic structure calculations I. One-electron reduced density matrix
• On the regularity of the electronic Schrödinger equation in Hilbert spaces of mixed derivatives
• A Regularity Theory for Static Schrödinger Equations on \(\boldsymbol{\mathbb{R}}\)^d in Spectral Barron Spaces
• The optimization landscape for fitting a rank-2 tensor with a rank-1 tensor
• The hyperbolic cross space approximation of electronic wavefunctions
• A regularity result for the bound states of \(N\)-body Schrödinger operators: blow-ups and Lie manifolds
• Regularity, complexity, and approximability of electronic wavefunctions
• Regularity for eigenfunctions of Schrödinger operators
• Adaptive multigrid method for quantum eigenvalue problems
• \(N\)-widths and \(\varepsilon \)-dimensions for high-dimensional approximations
• Sparse grids for the Schrödinger equation
• On the anisotropic Sobolev regularity of the electronic Schrödinger equation
• Quantum chemistry, Sobolev spaces and SCF
• A singularity-based eigenfunction decomposition for Kohn-Sham equations
• Single-electron Schrödinger equation for many-electron systems
• Analysis of the projected coupled cluster method in electronic structure calculation
• Traces of functions with a dominating mixed derivative in ℝ3
• A Kohn-Sham equation solver based on hexahedral finite elements
• Multigrid method for nonlinear eigenvalue problems based on Newton iteration
• Cascadic adaptive finite element method for nonlinear eigenvalue problem based on complementary approach
• Analytic structure of many-body Coulombic wave functions
• The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons
• Hyperbolic wavelet discretization of the two-electron Schrödinger equation in an explicitly correlated formulation
• On variational approximations in quantum molecular dynamics
• The mixed regularity of electronic wave functions multiplied by explicit correlation factors
• Optimal truncations for multivariate Fourier and Chebyshev series: mysteries of the hyperbolic cross. I: bivariate case
• Wavelets for density matrix computation in electronic structure calculation
• On the mixed regularity of N-body Coulombic wavefunctions
• Solvability for boundary value problem of the general Schrödinger equation with general superlinear nonlinearity
• On the approximation of electronic wavefunctions by anisotropic Gauss and Gauss-Hermite functions

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