BestN-term approximation in electronic structure calculations I. One-electron reduced density matrix

DOI10.1051/m2an:2006007zbMath1100.81050OpenAlexW2039586248MaRDI QIDQ5477286

Heinz-Jürgen Flad, Reinhold Schneider, Wolfgang Hackbusch

Publication date: 3 July 2006

Published in: ESAIM: Mathematical Modelling and Numerical Analysis (Search for Journal in Brave)

Full work available at URL: http://www.numdam.org/item?id=M2AN_2006__40_1_49_0

zbMATH Keywords

best \(N\)-term approximationelectron wave function

Mathematics Subject Classification ID

Many-body theory; quantum Hall effect (81V70) Multidimensional problems (41A63) Applications to the sciences (65Z05)

Related Items

Analysis of the projected coupled cluster method in electronic structure calculation ⋮ The hyperbolic cross space approximation of electronic wavefunctions ⋮ Explicit Green operators for quantum mechanical Hamiltonians. I: The hydrogen atom ⋮ The mixed regularity of electronic wave functions in fractional order and weighted Sobolev spaces ⋮ Asymptotic regularity of solutions to Hartree-Fock equations with Coulomb potential ⋮ Numerical tensor calculus ⋮ Estimates on derivatives of coulombic wave functions and their electron densities ⋮ Wavelets for density matrix computation in electronic structure calculation ⋮ Sparse grids for the Schrödinger equation ⋮ BestN-term approximation in electronic structure calculations. II. Jastrow factors ⋮ Analytic structure of many-body Coulombic wave functions

Cites Work

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• On the regularity of the electronic Schrödinger equation in Hilbert spaces of mixed derivatives
• Local properties of Coulombic wave functions
• Hyperbolic wavelet approximation
• Wavelet approach to quasi two-dimensional extended many-particle systems. I: Supercell Hartree-Fock method
• The electron density is smooth away from Nuclei
• Asymptotics for the approximation of wave functions by exponential sums
• Restricted nonlinear approximation
• Sparse grid spaces for the numerical solution of the electronic Schrödinger equation
• On the eigenfunctions of many-particle systems in quantum mechanics
• Compression of Wavelet Decompositions
• Sparse grids
• On the computation of the eigenproblems of hydrogen and helium in strong magnetic and electric fields with the sparse grid combination technique
• Electron wavefunctions and densities for atoms