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

Heinz-Jürgen Flad, Wolfgang Hackbusch, Reinhold Schneider (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

We present a novel application of best N-term approximation theory in the framework of electronic structure calculations. The paper focusses on the description of electron correlations within a Jastrow-type ansatz for the wavefunction. As a starting point we discuss certain natural assumptions on the asymptotic behaviour of two-particle correlation functions ( 2 ) near electron-electron and electron-nuclear cusps. Based on Nitsche's characterization of best N-term approximation spaces A q α ( H 1 ) , we prove...

Best N-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

We discuss best N-term approximation spaces for one-electron wavefunctions φ i and reduced density matrices ρ 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 q spaces of wavelet coefficients to proof that both φ i and ρ are in A q α ( H 1 ) for all α > 0 with α = 1 q - 1 2 . Our proof is based on the...

Best simultaneous L p approximations

Yusuf Karakuş (1998)

Czechoslovak Mathematical Journal

In this paper we study simultaneous approximation of n real-valued functions in L p [ a , b ] and give a generalization of some related results.

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