An efficient numerical quadrature for the calculation of the potential energy of wavefunctions expressed in the Daubechies wavelet basis

DOI10.1016/j.jcp.2006.01.003zbMath1102.65110arXivphysics/0506139OpenAlexW2016414222MaRDI QIDQ2508880

A. I. Neelov, Stefan Goedecker

Publication date: 20 October 2006

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/physics/0506139

zbMATH Keywords

wavefunctionerror estimatesfinite elementsnumerical examplesadaptivitySchrödinger equationnumerical quadraturemultiresolutionharmonic oscillatorscaling functionelectronic structureorthogonal waveletsDaubechies waveletseigenspectrumpotential energy operatorreal space methods

Mathematics Subject Classification ID

Estimates of eigenvalues in context of PDEs (35P15) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Numerical methods for wavelets (65T60) PDEs in connection with quantum mechanics (35Q40) Schrödinger operator, Schrödinger equation (35J10) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

Related Items (2)

Higher-order wavelet reconstruction/differentiation filters and Gibbs phenomena ⋮ An alternative approach to compute wavelet connection coefficients

Cites Work

• Unnamed Item
• Symmetric iterative interpolation processes
• Asymptotic error expansion of wavelet approximations of smooth functions. II
• Adaptive solution of partial differential equations in multiwavelet bases
• A dynamically adaptive multilevel wavelet collocation method for solving partial differential equations in a finite domain
• A study of orthonormal multi-wavelets
• Multiwavelet moments and projection prefilters
• Painless nonorthogonal expansions
• Ten Lectures on Wavelets
• On the Representation of Operators in Bases of Compactly Supported Wavelets
• A Class of Bases in $L^2$ for the Sparse Representation of Integral Operators
• Quadrature Formulae and Asymptotic Error Expansions for Wavelet Approximations of Smooth Functions
• Using the Refinement Equation for Evaluating Integrals of Wavelets

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