Range-separated tensor decomposition of the discretized Dirac delta and elliptic operator inverse

DOI10.1016/J.JCP.2019.108998zbMATH Open1453.65035arXiv1812.02684OpenAlexW2981261270WikidataQ127016748 ScholiaQ127016748MaRDI QIDQ2222684FDOQ2222684

Authors: Boris N. Khoromskij 

Publication date: 27 January 2021

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

Abstract: In this paper, we introduce the operator dependent range-separated tensor approximation of the discretized Dirac delta in $mathbb{R}^d$. It is constructed by application of the discrete elliptic operator to the range-separated decomposition of the associated Green kernel discretized on the Cartesian grid in $mathbb{R}^d$. The presented operator dependent local-global splitting of the Dirac delta can be applied for solving the potential equations in non-homogeneous media when the density in the right-hand side is given by the large sum of pointwise singular charges. We show how the idea of the operator dependent RS splitting of the Dirac delta can be extended to the closely related problem on the range separated tensor representation of the elliptic resolvent. The numerical tests confirm the expected localization properties of the obtained operator dependent approximation of the Dirac delta represented on a tensor grid. As an example of application, we consider the regularization scheme for solving the Poisson-Boltzmann equation for modeling the electrostatics in bio-molecules.

Full work available at URL: https://arxiv.org/abs/1812.02684

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zbMATH Keywords

Coulomb potentialDirac deltalong-range many-particle interactionsrange-separated tensor formatselliptic Green functionlow-rank tensor decompositions

Mathematics Subject Classification ID

Electro- and magnetostatics (78A30) PDEs in connection with optics and electromagnetic theory (35Q60) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs (65M60) Numerical radial basis function approximation (65D12)

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Cited In (7)

• Regularization of Poisson-Boltzmann-type equations with singular source terms using the range-separated tensor format
• Prospects of tensor-based numerical modeling of the collective electrostatics in many-particle systems
• A regularization approach for solving the super-Gaussian Poisson-Boltzmann model with heterogeneous dielectric functions
• Convergence of a diffuse interface Poisson-Boltzmann (PB) model to the sharp interface PB model: a unified regularization formulation
• On regularization of charge singularities in solving the Poisson-Boltzmann equation with a smooth solute-solvent boundary
• Solution decomposition for the nonlinear Poisson-Boltzmann equation using the range-separated tensor format
• Regularization methods for the Poisson-Boltzmann equation: comparison and accuracy recovery

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