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

DOI10.1016/J.JCP.2019.108998MaRDI QIDQ2222684zbMATH OpenOpenAlexWikidataFDO

Authors Boris N. Khoromskij

Publication date 27 January 2021

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

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

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)

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.

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Cited in

(7)

• Regularization methods for the Poisson-Boltzmann equation: comparison and accuracy recovery
• 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

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