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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...

Biquadratic splines interpolating mean values

Jiří Kobza, Jan Mlčák (1994)

Applications of Mathematics

Continuity conditions for a biquadratic spline interpolating given mean values in terms of proper parameters are given. Boundary conditions determining such a spline and the algorithm for computing local parameters for the given data are studied. The notion of the natural spline and its extremal property is mentioned.

Data approximation using polyharmonic radial basis functions

Segeth, Karel (2021)

Programs and Algorithms of Numerical Mathematics

The paper is concerned with the approximation and interpolation employing polyharmonic splines in multivariate problems. The properties of approximants and interpolants based on these radial basis functions are shown. The methods of such data fitting are applied in practice to treat the problems of, e.g., geographic information systems, signal processing, etc. A simple 1D computational example is presented.

Equivalence of measures of smoothness in L p ( S d - 1 ) , 1 < p < ∞

F. Dai, Z. Ditzian, Hongwei Huang (2010)

Studia Mathematica

Suppose Δ̃ is the Laplace-Beltrami operator on the sphere S d - 1 , Δ ρ k f ( x ) = Δ ρ Δ ρ k - 1 f ( x ) and Δ ρ f ( x ) = f ( ρ x ) - f ( x ) where ρ ∈ SO(d). Then ω m ( f , t ) L p ( S d - 1 ) s u p Δ ρ m f L p ( S d - 1 ) : ρ S O ( d ) , m a x x S d - 1 ρ x · x c o s t and K ̃ ( f , t m ) p i n f f - g L p ( S d - 1 ) + t m ( - Δ ̃ ) m / 2 g L p ( S d - 1 ) : g ( ( - Δ ̃ ) m / 2 ) are equivalent for 1 < p < ∞. We note that for even m the relation was recently investigated by the second author. The equivalence yields an extension of the results on sharp Jackson inequalities on the sphere. A new strong converse inequality for L p ( S d - 1 ) given in this paper plays a significant role in the proof.

Estimates for spline projections

J. H. Bramble, A. H. Schatz (1976)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

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