Regularity and approximability of electronic wave functions

DOI10.1007/978-3-642-12248-4zbMATH Open1204.35003OpenAlexW602313805MaRDI QIDQ974094FDOQ974094

Authors: Harry Yserentant 

Publication date: 27 May 2010

Published in: Lecture Notes in Mathematics (Search for Journal in Brave)

Full work available at URL: http://cds.cern.ch/record/1691762

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zbMATH Keywords

density functional theoryHartree-Fock method\(N\)-particle wave functionsconvergence rates and complexity boundselectronic Schrödinger equation

Mathematics Subject Classification ID

Time-dependent Schrödinger equations and Dirac equations (35Q41) PDEs in connection with optics and electromagnetic theory (35Q60) Research exposition (monographs, survey articles) pertaining to partial differential equations (35-02)

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• New explicit-in-dimension estimates for the cardinality of high-dimensional hyperbolic crosses and approximation of functions having mixed smoothness
• Musings on multilinear fitting
• On the entropy numbers between the anisotropic spaces and the spaces of functions with mixed smoothness
• Sparse grids approximation of Goldstone diagrams in electronic structure calculations
• Sampling numbers of smoothness classes via \(\ell^1\)-minimization
• A theoretical investigation of time-dependent Kohn-Sham equations: new proofs
• Sampling on energy-norm based sparse grids for the optimal recovery of Sobolev type functions in \(H^\gamma\)
• Low-rank tensor methods for partial differential equations
• The complexity of linear tensor product problems in (anti)symmetric Hilbert spaces
• Notes on \((s,t)\)-weak tractability: a refined classification of problems with (sub)exponential information complexity
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• Deep ReLU neural networks in high-dimensional approximation
• A comparison of the Georgescu and Vasy spaces associated to the \(N\)-body problems and applications
• Optimal approximation of multivariate periodic Sobolev functions in the sup-norm
• Approximation in periodic Gevrey spaces
• A spectral method for Schrödinger equations with smooth confinement potentials
• An Adaptive Multiscale Approach for Electronic Structure Methods
• Spectral methods for Langevin dynamics and associated error estimates
• The mixed regularity of electronic wave functions in fractional order and weighted Sobolev spaces
• Randomized approximation numbers on Besov classes with mixed smoothness
• On the regularity of the electronic Schrödinger equation in Hilbert spaces of mixed derivatives
• The optimization landscape for fitting a rank-2 tensor with a rank-1 tensor
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• A singularity-based eigenfunction decomposition for Kohn-Sham equations
• Gelfand numbers of embeddings of mixed Besov spaces
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• On optimal approximation in periodic Besov spaces
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• Change of variable in spaces of mixed smoothness and numerical integration of multivariate functions on the unit cube
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• An asymptotics-based adaptive finite element method for Kohn-Sham equation
• Investigation of optimal control problems governed by a time-dependent Kohn-Sham model
• Approximation of mixed order Sobolev functions on the \(d\)-torus: asymptotics, preasymptotics, and \(d\)-dependence
• A Perturbative Approach to Control Variates in Molecular Dynamics
• Regularity of tensor product approximations to square integrable functions
• On the mixed regularity of N-body Coulombic wavefunctions
• The geometry of algorithms using hierarchical tensors
• Numerical tensor calculus
• Construction of quasi-Monte Carlo rules for multivariate integration in spaces of permutation-invariant functions
• On the approximation of electronic wavefunctions by anisotropic Gauss and Gauss-Hermite functions
• Rate-optimal sparse approximation of compact break-of-scale embeddings
• Fast hyperbolic wavelet regression meets ANOVA
• Coupled-Cluster theory revisited
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• Coupled Cluster Theory: Toward an Algebraic Geometry Formulation
• Analysis of the single reference coupled cluster method for electronic structure calculations: the full-coupled cluster equations
• Strang splitting in combination with rank-1 and rank-\(r\) lattices for the time-dependent Schrödinger equation

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