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Within investigating the multiple charge spreading generalizing the Bertautapproach, a set of confined spreading functions with a polynomial behaviour,but defined so as to enhance the rate of convergence of Coulomb series evenupon a single spreading, is proposed. It is shown that multiple spreading isultimately effective especially in the case when the spreading functions ofneighbouring point charges overlap. In the cases of a simple exponential and aGaussian spreading functions the effect of multiplicity of spreading on therate of convergence is discussed along with an additional optimization of thespreading parameter in dependence on the cut-off parameters of latticesummation. All the effects are demonstrated on a simple model NaCl structure.

Convergence peculiarities of lattice summation upon multiple charge spreading generalizing the Bertaut approach