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Solution to the Modified Helmholtz Equation for Arbitrary Periodic Charge Densities

Authors: Miriam Winkelmann; Miriam Winkelmann; Miriam Winkelmann; Miriam Winkelmann; Miriam Winkelmann; Edoardo Di Napoli; Edoardo Di Napoli; +7 Authors

Solution to the Modified Helmholtz Equation for Arbitrary Periodic Charge Densities

Abstract

We present a general method for solving the modified Helmholtz equation without shape approximation for an arbitrary periodic charge distribution, whose solution is known as the Yukawa potential or the screened Coulomb potential. The method is an extension of Weinert’s pseudo-charge method [Weinert M, J Math Phys, 1981, 22:2433–2439] for solving the Poisson equation for the same class of charge density distributions. The inherent differences between the Poisson and the modified Helmholtz equation are in their respective radial solutions. These are polynomial functions, for the Poisson equation, and modified spherical Bessel functions, for the modified Helmholtz equation. This leads to a definition of a modified pseudo-charge density and modified multipole moments. We have shown that Weinert’s convergence analysis of an absolutely and uniformly convergent Fourier series of the pseudo-charge density is transferred to the modified pseudo-charge density. We conclude by illustrating the algorithmic changes necessary to turn an available implementation of the Poisson solver into a solver for the modified Helmholtz equation.

Country
Germany
Keywords

Condensed Matter - Materials Science, materials science, Physics, QC1-999, Green functions technique, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Mathematical Physics (math-ph), Computational Physics (physics.comp-ph), electrostatics, 530, electronic structure methods, partial differential equations, info:eu-repo/classification/ddc/530, Physics - Computational Physics, density functional theory, Mathematical Physics

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
17
Top 10%
Top 10%
Top 10%
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gold