Best N-term approximation in electronic structure calculations. II. Jastrow factors

Heinz-Jürgen Flad; Wolfgang Hackbusch; Reinhold Schneider

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

Heinz-Jürgen Flad, Wolfgang Hackbusch, Reinhold Schneider (2006)

ESAIM: Mathematical Modelling and Numerical Analysis

Similarity:

We discuss best -term approximation spaces for one-electron wavefunctions $φ_{i}$ and reduced density matrices emerging from Hartree-Fock and density functional theory. The approximation spaces $A_{q}^{α} (H^{1})$ for anisotropic wavelet tensor product bases have been recently characterized by Nitsche in terms of tensor product Besov spaces. We have used the norm equivalence of these spaces to weighted $ℓ_{q}$ spaces of wavelet coefficients to proof that both $φ_{i}$ and are in $A_{q}^{α} (H^{1})$ for all $α > 0$ with $α = \frac{1}{q} - \frac{1}{2}$ . Our proof is based...

Displaying similar documents to “Best N-term approximation in electronic structure calculations. II. Jastrow factors”

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