The kinetic energy operator in the subspaces of wavelet analysis

DOI10.1007/S10910-008-9458-4zbMATH Open1195.81015arXiv0707.2817OpenAlexW1971766060MaRDI QIDQ1028041FDOQ1028041

Authors: János Pipek, Szilvia Nagy 

Publication date: 30 June 2009

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Abstract: At any resolution level of wavelet expansions the physical observable of the kinetic energy is represented by an infinite matrix which is ``canonically chosen as the projection of the operator $-Delta/2$ onto the subspace of the given resolution. It is shown, that this canonical choice is not optimal, as the regular grid of the basis set introduces an artificial consequence of periodicity, and it is only a particular member of possible operator representations. We present an explicit method of preparing a near optimal kinetic energy matrix which leads to more appropriate results in numerical wavelet based calculations. This construction works even in those cases, where the usual definition is unusable (i.e., the derivative of the basis functions does not exist). It is also shown, that building an effective kinetic energy matrix is equivalent to the renormalization of the kinetic energy by a momentum dependent effective mass compensating for artificial periodicity effects.

Full work available at URL: https://arxiv.org/abs/0707.2817

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zbMATH Keywords

wavelet analysisoperator representationkinetic energy operator

Mathematics Subject Classification ID

Nontrigonometric harmonic analysis involving wavelets and other special systems (42C40) General and philosophical questions in quantum theory (81P05)

Cites Work

• Title not available (Why is that?)
• Using the Refinement Equation for Evaluating Integrals of Wavelets
• A Wavelet-Optimized, Very High Order Adaptive Grid and Order Numerical Method
• A class of difference schemes with flexible local approximation
• A proof that the discrete singular convolution (DSC)/Lagrange-distributed approximating function (LDAF) method is inferior to high order finite differences

Cited In (1)

• Kinetic energy-free Hartree-Fock equations: an integral formulation

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