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• W2067210439 startingPage "12942" @default.
• W2067210439 abstract "We present a new interpretation of the Ewald technique that suggests a simple rule to guide the transformation of any lattice sum into a pair of sums, one over the original lattice and the other over the reciprocal lattice, both converging faster than any power law in the distance from the origin. The rule sets conditions needed in finding an approximation to the long-range part of the function being summed, and it is the Fourier transform of this approximation that then appears in the reciprocal-lattice sum. Once such an approximation is found, the same transformation can be used not only for lattice sums over Bravais lattices or lattices with a basis, but also for the structural integrals associated with noncrystalline systems, including glasses and liquids. The approach can also be applied to quasicrystals, where the transformation takes two different forms depending on whether the sum is viewed in three dimensions or six, for the icosahedral case. Finally, other implications of the interpretation are presented, including a set of conditions under which an alternative planewise summation method can be used." @default.
• W2067210439 created "2016-06-24" @default.
• W2067210439 creator A5029590176 @default.
• W2067210439 creator A5082831450 @default.
• W2067210439 date "1988-12-15" @default.
• W2067210439 modified "2023-09-26" @default.
• W2067210439 title "Rapid convergence of lattice sums and structural integrals in ordered and disordered systems" @default.
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• W2067210439 doi "https://doi.org/10.1103/physrevb.38.12942" @default.
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